Basic information
- CAS
5231-79-8- Standard SMILES
CCOC(=O)C1(C#N)CCCCC1C- InChIKey
HLNCCQIHRLGNBV-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- Ethyl 1-cyano-2-methylcyclohexanecarboxylate
- IUPAC
- ethyl 1-cyano-2-methylcyclohexane-1-carboxylate
- English name
- Ethyl-1-cyano-2-methylcyclohexanecarboxylate
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
5231-79-8ethyl 1-cyano-2-methylcyclohexanecarboxylateAKOS015907165ethyl 1-cyano-2-methylcyclohexane-1-carboxylateEthyl-1-cyano-2-methylcyclohexanecarboxylateCyclohexanecarboxylic acid, 1-cyano-2-methyl-, ethyl ester
Database identifiers
- CAS
5231-79-8- PubChem CID
- 24973878
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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