Basic information
- CAS
2878-50-4- Standard SMILES
[O-]c1ccccc1N=Cc1ccc(O)cc1- InChIKey
KILNMRJUXROOCU-UHFFFAOYSA-M- Molecular formula
- C13H10NO2-
- Average molar mass
- 212.22 g/mol
- Monoisotopic mass
- 212.07115356
Names & identifiers
- Preferred name
- 2-{[(4-Oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}phenolate
- IUPAC
- 2-[(4-hydroxyphenyl)methylideneamino]phenolate
Names & synonyms
2878-50-4DTXSID507802892-{[(4-Oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}phenolate
Database identifiers
- CAS
2878-50-4- PubChem CID
- 136239682
- DTXSID
DTXSID50780289
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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