Basic information
- CAS
6316-69-4- Standard SMILES
Oc1ccc(C=Nc2ccccc2)c(O)c1O- InChIKey
VHOVVVIQTPGKFP-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 4-((Phenylimino)methyl)benzene-1,2,3-triol
- IUPAC
- 4-(phenyliminomethyl)benzene-1,2,3-triol
Names & synonyms
6316-69-4NSC225964-((phenylimino)methyl)benzene-1,2,3-triolSCHEMBL11413242SCHEMBL11413244DTXSID20420620(4E)-4-(anilinomethylidene)-2,3-dihydroxycyclohexa-2,5-dien-1-oneNSC-22596AKOS034466378SR-01000045112SR-01000045112-1Z56930335
Show more names
T0518-4467
Database identifiers
- CAS
6316-69-4- PubChem CID
- 229166
- DTXSID
DTXSID20420620
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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