Basic information
- CAS
126433-38-3- Standard SMILES
N#CC(C#N)C[C@H](N)C(=O)O- InChIKey
ZLXDOAAEXPVHDQ-YFKPBYRVSA-N- Molecular formula
- C6H7N3O2
- Average molar mass
- 153.14 g/mol
Names & identifiers
- Preferred name
- (2S)-2-amino-4,4-dicyanobutanoic acid
- IUPAC
- (2S)-2-amino-4,4-dicyanobutanoic acid
- English name
- Butanoic acid, 2-amino-4,4-dicyano-, (S)- (9CI)
- Molecular formula
- C6H7N3O2
- Molecular weight
- 153.14
Names & synonyms
Butanoic acid, 2-amino-4,4-dicyano-, (S)- (9CI)
Database identifiers
- CAS
126433-38-3
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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