benzyl (2E)-5-cyano-2-hydroxyiminopentanoate
Basic information
- CAS
91807-24-8- Standard SMILES
N#CCCC/C(=N\O)C(=O)OCc1ccccc1- InChIKey
FLXVDHAITYCIPW-NTCAYCPXSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- benzyl (2E)-5-cyano-2-hydroxyiminopentanoate
- IUPAC
- benzyl (2E)-5-cyano-2-hydroxyiminopentanoate
Names & synonyms
NSC33599NSC-33599
Database identifiers
- CAS
91807-24-8- PubChem CID
- 6399285
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…