Basic information
- Standard SMILES
N#CC(O)(CCl)CC(=O)O- InChIKey
ZTBMWAFZFDPZGA-UHFFFAOYSA-N- Molecular formula
- C5H6ClNO3
- Average molar mass
- 163.56 g/mol
- Monoisotopic mass
- 163.0036207
Names & identifiers
- Preferred name
- 3-cyano-3-Hydroxy-4-Chlorobutyric Acid
- IUPAC
- 4-chloro-3-cyano-3-hydroxybutanoic acid
Names & synonyms
SCHEMBL11802170ZTBMWAFZFDPZGA-UHFFFAOYSA-NAKOS0063873973-cyano-3-Hydroxy-4-Chlorobutyric Acid
Database identifiers
- PubChem CID
- 21528067
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 185
Related reactions
7 records
Compound notes
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