Basic information
- CAS
5471-68-1- Standard SMILES
CC(=O)C(Cl)=NO- InChIKey
KCMDLQKACKNGMB-UHFFFAOYSA-N- Molecular formula
- C3H4ClNO2
- Average molar mass
- 121.52 g/mol
- Monoisotopic mass
- 120.9930561
Names & identifiers
- Preferred name
- N-hydroxy-2-oxopropanimidoyl chloride
- IUPAC
- N-hydroxy-2-oxopropanimidoyl chloride
Names & synonyms
5471-68-1N-hydroxy-2-oxopropanimidoyl chloridepyruvyl chloride 1-oximeSCHEMBL4372344KCMDLQKACKNGMB-UHFFFAOYSA-NDTXSID201287574
Database identifiers
- CAS
5471-68-1- PubChem CID
- 6399062
- DTXSID
DTXSID201287574
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 110
Related reactions
2 records
Compound notes
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