5-(4-Chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
Basic information
- CAS
6288-72-8- Standard SMILES
N#CC(C(=O)O)C(CC(=O)c1ccc(Cl)cc1)c1ccccc1- InChIKey
VTPFOBYLRFEMIP-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
- IUPAC
- 5-(4-chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
Names & synonyms
6288-72-85-(4-chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acidNSC11501DTXSID40279172NSC-11501
Database identifiers
- CAS
6288-72-8- PubChem CID
- 223671
- DTXSID
DTXSID40279172
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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