2-(Acetyloxy)biphenyl-3-carboxylic acid
Basic information
- CAS
60821-26-3- Standard SMILES
CC(=O)Oc1c(C(=O)O)cccc1-c1ccccc1- InChIKey
DFYLFXFLGUKTNL-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 2-(Acetyloxy)biphenyl-3-carboxylic acid
- IUPAC
- 2-acetyloxy-3-phenylbenzoic acid
Names & synonyms
60821-26-32-(acetyloxy)[1,1'-biphenyl]-3-carboxylic acid2-(acetyloxy)biphenyl-3-carboxylic acidNSC49099SCHEMBL1358288DTXSID80287130NSC-49099
Database identifiers
- CAS
60821-26-3- PubChem CID
- 241579
- DTXSID
DTXSID80287130
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
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