4-(3-Formylphenyl)-2-methoxybenzoic acid
Basic information
- CAS
1261983-69-0- Standard SMILES
COc1cc(-c2cccc(C=O)c2)ccc1C(=O)O- InChIKey
OHVJNIAAQYRZLI-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 4-(3-Formylphenyl)-2-methoxybenzoic acid
- IUPAC
- 4-(3-formylphenyl)-2-methoxybenzoic acid
Names & synonyms
1261983-69-04-(3-FORMYLPHENYL)-2-METHOXYBENZOIC ACIDMFCD18319221SCHEMBL2558096DTXSID206888844-(3-formylphenyl)-2-methoxy-benzoic acid4-(3-Formylphenyl)-2-methoxybenzoic acid, 95%3'-Formyl-3-methoxy[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1261983-69-0- PubChem CID
- 53225152
- DTXSID
DTXSID20688884
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…