2,3-Pentanedione, 3-oxime
Basic information
- CAS
609-29-0- Standard SMILES
CC/C(=N\O)C(C)=O- InChIKey
KKJVJCIOIRIFFK-AATRIKPKSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 2,3-Pentanedione, 3-oxime
- IUPAC
- (3E)-3-hydroxyiminopentan-2-one
Names & synonyms
3-Oximino-2-pentanone2,3-Pentanedione, 3-oximeBRN 0635886609-29-04-01-00-03661 (Beilstein Handbook Reference)RefChem:819333-Isonitrosopentan-2-onSCHEMBL3399929AKOS006280150
Database identifiers
- CAS
609-29-0- PubChem CID
- 9576751
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 118
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Compound notes
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