chempirical

2-Oxopropanal 1-oxime

C3H5NO2CAS 306-44-587.08 g/mol

Open in Covalent MOL file
ONOH
KetoneOxime

Properties

Molecular formula
C3H5NO2
Molar mass
87.08 g/mol
Exact mass
87.0320 Da
Melting point
69 °C
logP
0.04Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
306-44-5
SMILES
CC(=O)C=NO
InChIKey
OVGLVOLWBBGQHS-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Propanal, 2-oxo-, 1-oxime
  • Pyruvaldehyde, 1-oxime
  • Pyruvaldehyde, aldoxime
  • Isonitrosoacetone
  • Monoisonitrosoacetone
  • Pyruvaldoxime
  • MINA
  • 2-Propanone, 1-(hydroxyimino)-
  • Methylglyoxal aldoxime
  • RA 52
  • NSC 53172
  • 2-Oxopropanal oxime

Work with 2-Oxopropanal 1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methylglyoxal78-98-839 % similar 3-Penten-2-one625-33-238 % similar Methyl vinyl ketone78-94-438 % similar Isonitrosoacetophenone532-54-735 % similar 4-Amino-3-penten-2-one1118-66-733 % similar 2,3-Butanedione monoxime57-71-633 % similar 6-Methylhepta-3,5-dien-2-one1604-28-032 % similar 4-Methoxy-3-buten-2-one4652-27-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Nitro-1-propene4749-28-4 2-Oxazolidone497-25-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook