Basic information
- CAS
63098-82-8- Standard SMILES
COc1cc(C=Nc2ccc(C(=O)O)cc2)ccc1O- InChIKey
OGFYWVVHQHRQRU-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- 4-(((4-Hydroxy-3-methoxyphenyl)methylene)amino)benzoic acid
- IUPAC
- 4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
Names & synonyms
4-(((4-Hydroxy-3-methoxyphenyl)methylene)amino)benzoic acidAI3-30789Benzoic acid, 4-(((4-hydroxy-3-methoxyphenyl)methylene)amino)-63098-82-8SCHEMBL17810917SCHEMBL17810919SCHEMBL178260584-carboxy-N-(3-methoxy-4-hydroxybenzylidene)aniline(e)-4-(4-hydroxy-3-methoxybenzylideneamino)benzoic acid
Database identifiers
- CAS
63098-82-8- PubChem CID
- 962292
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…