2-(1,2-Dihydroacenaphthylene-4-carbonyl)benzoic acid
Basic information
- CAS
7471-34-3- Standard SMILES
O=C(O)c1ccccc1C(=O)c1cc2c3c(cccc3c1)CC2- InChIKey
JKCYRYBTKTXYNQ-UHFFFAOYSA-N- Molecular formula
- C20H14O3
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.0942943
Names & identifiers
- Preferred name
- 2-(1,2-Dihydroacenaphthylene-4-carbonyl)benzoic acid
- IUPAC
- 2-(1,2-dihydroacenaphthylene-4-carbonyl)benzoic acid
Names & synonyms
7471-34-3NSC 4035802-(1,2-dihydroacenaphthylene-4-carbonyl)benzoic acidNSC403580DTXSID00323322NSC-403580
Database identifiers
- CAS
7471-34-3- PubChem CID
- 345799
- DTXSID
DTXSID00323322
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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