Basic information
- CAS
38289-20-2- Standard SMILES
COC(=O)C1CC(C#N)(c2ccccc2)CCC1=O- InChIKey
JNUNIHDBRZOUMB-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- Methyl 5-cyano-2-oxo-5-phenylcyclohexanecarboxylate
- IUPAC
- methyl 5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylate
- English name
- Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
Methyl 5-cyano-2-oxo-5-phenylcyclohexanecarboxylate38289-20-2DTXSID00342497RefChem:356059DTXCID60293577methyl 5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylateMethyl5-cyano-2-oxo-5-phenylcyclohexanecarboxylateSCHEMBL735539DB-3348792-carbomethoxy-4-cyano-4-phenylcyclohexanonemethyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylateMethyl 5-cyano-2-oxo-5-phenylcyclohexanecarboxylate #
Show more names
Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester
5-cyano-2-oxo-5-phenylcyclohexanecarboxylic Acid Methyl Ester5-cyano-2-oxo-5-phenyl cyclohexane carboxylic acid methyl ester5-cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid methyl ester5-Cyano-2-oxo-5-phenyl-cyclohexanecarboxylic acid, methyl ester
Database identifiers
- CAS
38289-20-2- PubChem CID
- 582396
- DTXSID
DTXSID00342497- Nikkaji
- J548.909A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers2 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
Related reactions
20 records
Compound notes
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