Basic information
- Standard SMILES
CC(C)OC(=O)CC(O)CC#N- InChIKey
ACNJISHVFNLVIS-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- Propan-2-yl 4-cyano-3-hydroxybutanoate
- IUPAC
- propan-2-yl 4-cyano-3-hydroxybutanoate
Names & synonyms
SCHEMBL6234988
Database identifiers
- PubChem CID
- 9815342
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Related reactions
1 records
Compound notes
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