Acetone oxime
Properties
- Molecular formula
- C3H7NO
- Molar mass
- 73.09 g/mol
- Exact mass
- 73.0528 Da
- Density
- 0.9232 g/mL (at 804 °C)
- Melting point
- 61 °C
- Boiling point
- 136 °C
- pKa
- 12.42 (24.9 °C)
- Water solubility
- 300–327 g/L (20 °C)
- logP
- 0.86Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H312 Harmful in contact with skinAcute toxicity, dermal
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H350 May cause cancerCarcinogenicity
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 606-156-00-1), via PubChem.
Precautionary statements
P203, P260, P261, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P333+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
127-06-0SMILES
CC(C)=NOInChIKey
PXAJQJMDEXJWFB-UHFFFAOYSA-NInChI
InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propanone, oxime
- Acetone, oxime
- 2-Propanone oxime
- Acetoxime
- β-Isonitrosopropane
- Propanone oxime
- Dimethyl ketoxime
- N-Isopropylidenehydroxylamine
- NSC 7601
- Exkin 518
Reactions
Work with Acetone oxime
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethylglyoxime95-45-450 % similar
Acetohydroxamic acid546-88-344 % similar
2,4-Pentanedione oxime2157-56-442 % similar
Pinacolone oxime2475-93-638 % similar
Methylethyl ketone oxime96-29-738 % similar
Cyclopentanone oxime1192-28-537 % similar
Nioxime492-99-937 % similar
Methylglyoxime1804-15-536 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds