4-[4-(4-Carboxybenzoyl)benzoyl]benzoic acid
Basic information
- CAS
20787-49-9- Standard SMILES
O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1- InChIKey
NQTSEFRXDSPIJI-UHFFFAOYSA-N- Molecular formula
- C22H14O6
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.07903816
Names & identifiers
- Preferred name
- 4-[4-(4-Carboxybenzoyl)benzoyl]benzoic acid
- IUPAC
- 4-[4-(4-carboxybenzoyl)benzoyl]benzoic acid
Names & synonyms
20787-49-94-[4-(4-carboxybenzoyl)benzoyl]benzoic acidCHEMBL35997Benzoic acid, 4,4'-(1,4-phenylenedicarbonyl)bis-1,4-BIS(4-CARBOXYBENZOYL)BENZENENSC2269SCHEMBL2407327DTXSID00277412NSC-2269BDBM504073184,4'-(1,4-Phenylenedicarbonyl)dibenzoic acid
Database identifiers
- CAS
20787-49-9- PubChem CID
- 220047
- DTXSID
DTXSID00277412- ChEMBL
CHEMBL35997- Nikkaji
- J645.738J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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