# catecholborane (Q730606)

| Property ID | Property | Value | Value entity | Amount | Unit | Date / from | Until | Rank | Sources |
| --- | --- | --- | --- | ---: | --- | --- | --- | --- | --- |
| P31 | Instance of | type of chemical entity | Q113145171 |  |  |  |  | normal |  |
| P274 | Formula | C₆H₅BO₂ |  |  |  |  |  | normal | PubChem |
| P233 | Canonical SMILES | B1OC2=CC=CC=C2O1 |  |  |  |  |  | normal | PubChem |
| P2067 | Mass | 120.038 Da |  | 120.038 | Da |  |  | normal | PubChem |
| P2101 | Melting point | 12°C |  | 12 | °C |  |  | normal | Jean-Claude Bradley Open Melting Point Dataset |
| P527 | Members / parts | boron | Q618 |  |  |  |  | normal |  |
| P527 | Members / parts | oxygen | Q629 |  |  |  |  | normal |  |
| P527 | Members / parts | carbon | Q623 |  |  |  |  | normal |  |
| P527 | Members / parts | hydrogen | Q556 |  |  |  |  | normal |  |
| P279 | Subclass of | chemical compound | Q11173 |  |  |  |  | normal |  |
| P231 | CAS Registry Number | 274-07-7 |  |  |  |  |  | normal | https://commonchemistry.cas.org/detail?cas_rn=274-07-7 |
| P661 | ChemSpider ID | 10617125 |  |  |  |  |  | normal | https://www.chemspider.com/Chemical-Structure.10617125.html |
| P8494 | DSSTOX compound identifier | DTXCID3037670 |  |  |  |  |  | normal | https://comptox.epa.gov/dashboard/DTXCID3037670 |
| P3117 | DSSTox substance ID | DTXSID3059769 |  |  |  |  |  | normal | https://comptox.epa.gov/dashboard/chemical/details/DTXSID3059769 |
| P232 | EC number | 205-991-5 |  |  |  |  |  | normal | https://www.echa.europa.eu/information-on-chemicals/ec-inventory/-/dislist/details/205-991-5 |
| P2566 | ECHA Substance Infocard ID | 100.005.447 |  |  |  |  |  | normal | https://www.echa.europa.eu/substance-information/-/substanceinfo/100.005.447 |
| P646 | Freebase ID | /m/03c_jc7 |  |  |  |  |  | normal | https://www.google.com/search?kgmid=/m/03c_jc7 |
| P234 | InChI | InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H |  |  |  |  |  | normal | https://chemapps.stolaf.edu/jmol/jmol.php?&model=InChI%3D1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4%2C7H |
| P235 | InChIKey | CENMEJUYOOMFFZ-UHFFFAOYSA-N |  |  |  |  |  | normal | https://www.ncbi.nlm.nih.gov/sites/entrez?cmd=search&db=pccompound&term=%22CENMEJUYOOMFFZ-UHFFFAOYSA-N%22%5BInChIKey%5D |
| P6366 | Microsoft Academic ID (discontinued) | 2781320550 |  |  |  |  |  | normal | https://web.archive.org/web/https://academic.microsoft.com/v2/detail/2781320550 |
| P9405 | NMRShiftDB structure ID | 30001437 |  |  |  |  |  | normal | https://nmrshiftdb.nmr.uni-koeln.de/molecule/30001437 |
| P662 | PubChem CID | 67506 |  |  |  |  |  | normal | https://pubchem.ncbi.nlm.nih.gov/compound/67506 |
| P2877 | SureChEMBL ID | 29457647 |  |  |  |  |  | normal | https://www.surechembl.org/chemical/29457647 |
| P11089 | UniChem compound ID | 23510060 |  |  |  |  |  | normal | https://www.ebi.ac.uk/unichem/compoundsources?type=uci&compound=23510060 |
| P652 | UNII | UB69382H5J |  |  |  |  |  | normal | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UB69382H5J |

Source: https://aidb.si/e/catecholborane-Q730606 — Wikidata (CC0) via AIDb