Basic information
- Standard SMILES
CCOC(=O)CCC(=O)C(C#N)c1ccccc1C- InChIKey
NGUGKHRZFCVBEU-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-cyano-4-oxo-5-(2-methylphenyl)pentanoate
- IUPAC
- ethyl 5-cyano-5-(2-methylphenyl)-4-oxopentanoate
Names & synonyms
NGUGKHRZFCVBEU-UHFFFAOYSA-Nethyl 5-cyano-4-oxo-5-(2-methylphenyl)pentanoate
Database identifiers
- PubChem CID
- 21387700
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
3 records
Compound notes
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