1-Hydroxyiminopentane-2,4-dione
Basic information
- CAS
116974-90-4- Standard SMILES
CC(=O)CC(=O)C=NO- InChIKey
OITKKQRDTSSDDL-UHFFFAOYSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxyiminopentane-2,4-dione
- IUPAC
- 1-hydroxyiminopentane-2,4-dione
- English name
- Pentanal, 2,4-dioxo-, 1-oxime (9CI)
- Molecular formula
- C5H7NO3
- Molecular weight
- 129.11
Names & synonyms
1-hydroxyiminopentane-2,4-dionePentanal, 2,4-dioxo-, 1-oxime (9CI)116974-90-4N-hydroxyiminoacetyl acetoneSCHEMBL6261958Pentanal, 2,4-dioxo-, 2-oxime
Database identifiers
- CAS
116974-90-4
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 276.987 · 276.987±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.19 · 1.190±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.13 · 8.130±0.10(predicted)
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