Basic information
- CAS
80764-47-2- Standard SMILES
COc1ccc(C(=O)c2c(OC)cccc2C(=O)O)cc1- InChIKey
BJGQPFZFRBJQPC-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 3-Methoxy-2-(4-methoxybenzoyl)benzoic acid
- IUPAC
- 3-methoxy-2-(4-methoxybenzoyl)benzoic acid
Names & synonyms
80764-47-23-methoxy-2-(4-methoxybenzoyl)benzoic acidNSC338409SCHEMBL7454965DTXSID10318986NSC-338409
Database identifiers
- CAS
80764-47-2- PubChem CID
- 334076
- DTXSID
DTXSID10318986
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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