6-Acetyl-5-methoxy[1,1'-biphenyl]-3-carboxylic acid
Basic information
- CAS
116934-88-4- Standard SMILES
COc1cc(C(=O)O)cc(-c2ccccc2)c1C(C)=O- InChIKey
JKUDLIMDLCJQMY-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 6-Acetyl-5-methoxy[1,1'-biphenyl]-3-carboxylic acid
- IUPAC
- 4-acetyl-3-methoxy-5-phenylbenzoic acid
Names & synonyms
DTXSID0012256076-Acetyl-5-methoxy[1,1'-biphenyl]-3-carboxylic acid6-Acetyl-5-methoxy[1,1a(2)-biphenyl]-3-carboxylic acid116934-88-4
Database identifiers
- CAS
116934-88-4- PubChem CID
- 85566744
- DTXSID
DTXSID001225607- Nikkaji
- J1.280.076B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…