4-(Acetyloxy)biphenyl-3-carboxylic acid
Basic information
- CAS
17504-16-4- Standard SMILES
CC(=O)Oc1ccc(-c2ccccc2)cc1C(=O)O- InChIKey
MDDJDQPZGOGYRZ-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 4-(Acetyloxy)biphenyl-3-carboxylic acid
- IUPAC
- 2-acetyloxy-5-phenylbenzoic acid
- English name
- [1,1'-Biphenyl]-3-carboxylicacid, 4-(acetyloxy)-
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25338
Names & synonyms
4-(acetyloxy)biphenyl-3-carboxylic acid17504-16-44-(acetyloxy)[1,1'-biphenyl]-3-carboxylic acidNSC49101CHEMBL3244579SCHEMBL10723672DTXSID40287131NSC-49101AKOS0051512844-(Acetyloxy)biphenyl-3-carboxylicacidDB-205170[1,1'-Biphenyl]-3-carboxylicacid, 4-(acetyloxy)-
Database identifiers
- CAS
17504-16-4- PubChem CID
- 241580
- DTXSID
DTXSID40287131- ChEMBL
CHEMBL3244579
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…