chempirical

Isonitrosoacetophenone

C8H7NO2CAS 532-54-7149.15 g/mol

Open in Covalent MOL file
ONHO
KetoneOxime

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Melting point
129 °C
logP
1.33Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
532-54-7
SMILES
O=C(C=NO)c1ccccc1
InChIKey
MLNKXLRYCLKJSS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzeneacetaldehyde, α-oxo-, aldoxime
  • Glyoxal, phenyl-, 2-oxime
  • Glyoxal, phenyl-, aldoxime
  • Benzoylformaldoxime
  • Phenylglyoxal aldoxime
  • Phenylglyoxal 2-oxime
  • 2-(Hydroxyimino)acetophenone
  • 2-Isonitrosoacetophenone
  • Phenylglyoxal monoxime
  • RA 54
  • α-(Hydroximino)acetophenone
  • α-(Hydroxyimino)acetophenone
  • NSC 1330
  • NSC 25388

Work with Isonitrosoacetophenone

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

1,4-Diphenyl-2-butene-1,4-dione4070-75-156 % similar trans-1,2-Dibenzoylethylene959-28-456 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-253 % similar Phenylglyoxal1074-12-052 % similar 1-Phenyl-2-buten-1-one495-41-048 % similar trans-Chalcone614-47-148 % similar Chalcone94-41-748 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-445 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook