2-Benzoyl-3-methylbenzoic acid
Basic information
- CAS
1146-91-4- Standard SMILES
Cc1cccc(C(=O)O)c1C(=O)c1ccccc1- InChIKey
ALCCIWCIVXRVCD-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 2-Benzoyl-3-methylbenzoic acid
- IUPAC
- 2-benzoyl-3-methylbenzoic acid
Names & synonyms
2-benzoyl-3-methylbenzoic acid1146-91-4NSC409448SCHEMBL51520SCHEMBL38662722DTXSID40325249NSC-409448
Database identifiers
- CAS
1146-91-4- PubChem CID
- 349622
- DTXSID
DTXSID40325249
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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