2-Phenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Basic information
- CAS
92549-65-0- Standard SMILES
O=C(O)C1C2C=CC(C2)C1(C(=O)O)c1ccccc1- InChIKey
VIUISEDOUNNDQM-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Names & identifiers
- Preferred name
- 2-Phenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
- IUPAC
- 2-phenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Names & synonyms
92549-65-0NSC1918592-Phenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acidDTXSID10307512NSC-191859
Database identifiers
- CAS
92549-65-0- PubChem CID
- 303473
- DTXSID
DTXSID10307512
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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