Online Demo Results

Name-to-structure powered by OPSIN and NCI CIR
Boc-4-piperidone
SMILES: C(=O)(OC(C)(C)C)N1CCC(CC1)=O
Value 73.0
Units Celsius^(1.0)
Raw Value 73-77
Raw Units °C
Specifier melting point
Extraction Method QuantityModelTemplateParser
Specifier Updated False
Value 129.1
Units (10^6.0) * Gram^(1.0) Meter^(-3.0)
Raw Value 129.1
Raw Units gcm-3
Specifier density
Extraction Method QuantityModelTemplateParser
Specifier Updated False
caffeine
SMILES: N1(C)C(=O)N(C)C=2N=CN(C)C2C1=O
Value 1.679
Raw Value 1.679
Specifier refractive index
Extraction Method QuantityModelTemplateParser
Specifier Updated False
SiO2
Compound L1
Value 2.332
Units (10^-3.0) * ElectronVolt^(1.0)
Raw Value 2.332(11)
Raw Units meV
Specifier Ω
Extraction Method QuantityModelTemplateParser
Specifier Updated True
error 0.011
Value 35.0
Units (10^-12.0) * Meter^(1.0)
Raw Value 35
Raw Units pm
Specifier thickness
Extraction Method QuantityModelTemplateParser
Specifier Updated False
Value 1400.0
Units (10^-4.0) * Meter^(2.0) Second^(-1.0) Volt^(-1.0)
Raw Value 1400
Raw Units cm2V-1s-1
Specifier electron mobility
Extraction Method QuantityModelTemplateParser
Specifier Updated False
butane
SMILES: CCCC
Value 130.0
Units Angstrom^(1.0)
Raw Value 130
Raw Units Å
Specifier wavelength
Extraction Method MultiQuantityModelTemplateParser
Specifier Updated False
propane
SMILES: CCC
Value 120.0
Units Angstrom^(1.0)
Raw Value 120
Raw Units Å
Specifier wavelength
Extraction Method MultiQuantityModelTemplateParser
Specifier Updated False
Value 100.0
Units Angstrom^(1.0)
Raw Value 100
Raw Units Å
Specifier wavelength
Extraction Method MultiQuantityModelTemplateParser
Specifier Updated False
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Quantity Definitions

Ω bandgap

Chemical Entity Mentions

Boc-4-piperidone
methane
SiO2
butane
propane
caffeine

CDE v2 Output

[
  {
    "Document": {
      "abbreviation_definitions": [],
      "authors": "",
      "cems": [
        "Boc-4-piperidone",
        "methane",
        "SiO2",
        "butane",
        "propane",
        "caffeine"
      ],
      "copyright": "",
      "definitions": [
        {
          "definition": "bandgap",
          "end": 12,
          "specifier": "Ω",
          "start": 9,
          "tokens": [
            [
              "bandgap",
              "NN"
            ],
            [
              ",",
              ","
            ],
            [
              "Ω",
              "NN"
            ]
          ]
        }
      ],
      "doi": "",
      "firstpage": "",
      "html_url": "",
      "issue": "",
      "journal": "",
      "lastpage": "",
      "pages": "",
      "pdf_url": "",
      "published_date": "",
      "publisher": "",
      "title": "",
      "url": "",
      "volume": ""
    },
    "biblio": {
      "filename": "012bf3a6-eea8-4c40-9af6-a23c57e7b73a.txt"
    },
    "figures": [],
    "records": [
      {
        "MeltingTemperature": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "Boc-4-piperidone"
              ],
              "smiles": [
                "C(=O)(OC(C)(C)C)N1CCC(CC1)=O"
              ]
            },
            "elements": [
              "B"
            ]
          },
          "raw_units": "°C",
          "raw_value": "73-77",
          "specifier": "melting point",
          "units": "Celsius^(1.0)",
          "value": [
            73.0,
            77.0
          ]
        }
      },
      {
        "Density": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "Boc-4-piperidone"
              ],
              "smiles": [
                "C(=O)(OC(C)(C)C)N1CCC(CC1)=O"
              ]
            },
            "elements": [
              "B"
            ]
          },
          "raw_units": "gcm-3",
          "raw_value": "129.1",
          "specifier": "density",
          "units": "(10^6.0) * Gram^(1.0)  Meter^(-3.0)",
          "value": [
            129.1
          ]
        }
      },
      {
        "RefractiveIndex": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "caffeine"
              ],
              "smiles": [
                "N1(C)C(=O)N(C)C=2N=CN(C)C2C1=O"
              ]
            },
            "elements": null
          },
          "raw_value": "1.679",
          "specifier": "refractive index",
          "value": [
            1.679
          ]
        }
      },
      {
        "BandGap": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": true,
          "compound": {
            "Compound": {
              "labels": [
                "L1"
              ],
              "names": [
                "SiO2"
              ],
              "smiles": []
            },
            "elements": [
              "O",
              "Si"
            ]
          },
          "error": 0.011,
          "raw_units": "meV",
          "raw_value": "2.332(11)",
          "specifier": "Ω",
          "units": "(10^-3.0) * ElectronVolt^(1.0)",
          "value": [
            2.332
          ]
        }
      },
      {
        "LayerThickness": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "labels": [
                "L1"
              ],
              "names": [
                "SiO2"
              ],
              "smiles": []
            },
            "elements": [
              "O",
              "Si"
            ]
          },
          "raw_units": "pm",
          "raw_value": "35",
          "specifier": "thickness",
          "units": "(10^-12.0) * Meter^(1.0)",
          "value": [
            35.0
          ]
        }
      },
      {
        "ElectronMobility": {
          "cde2_method": "QuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "labels": [
                "L1"
              ],
              "names": [
                "SiO2"
              ],
              "smiles": []
            },
            "elements": [
              "O",
              "Si"
            ]
          },
          "raw_units": "cm2V-1s-1",
          "raw_value": "1400",
          "specifier": "electron mobility",
          "units": "(10^-4.0) * Meter^(2.0)  Second^(-1.0)  Volt^(-1.0)",
          "value": [
            1400.0
          ]
        }
      },
      {
        "Wavelength": {
          "cde2_method": "MultiQuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "butane"
              ],
              "smiles": [
                "CCCC"
              ]
            },
            "elements": null
          },
          "raw_units": "Å",
          "raw_value": "130",
          "specifier": "wavelength",
          "units": "Angstrom^(1.0)",
          "value": [
            130.0
          ]
        }
      },
      {
        "Wavelength": {
          "cde2_method": "MultiQuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "propane"
              ],
              "smiles": [
                "CCC"
              ]
            },
            "elements": null
          },
          "raw_units": "Å",
          "raw_value": "120",
          "specifier": "wavelength",
          "units": "Angstrom^(1.0)",
          "value": [
            120.0
          ]
        }
      },
      {
        "Wavelength": {
          "cde2_method": "MultiQuantityModelTemplateParser",
          "cde2_updated": false,
          "compound": {
            "Compound": {
              "names": [
                "methane"
              ],
              "smiles": [
                "C"
              ]
            },
            "elements": null
          },
          "raw_units": "Å",
          "raw_value": "100",
          "specifier": "wavelength",
          "units": "Angstrom^(1.0)",
          "value": [
            100.0
          ]
        }
      }
    ],
    "tables": []
  }
]