chempirical

1,2-Diacetylbenzene

C10H10O2CAS 704-00-7162.19 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
38.5 °C
Boiling point
110 °C (at 0.1 Torr)
logP
2.09Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
704-00-7
SMILES
CC(=O)c1ccccc1C(C)=O
InChIKey
LVQFKRXRTXCQCZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1,1′-(1,2-phenylene)bis-
  • Benzene, o-diacetyl-
  • 1,1′-(1,2-Phenylene)bis[ethanone]
  • o-Diacetylbenzene
  • 1-(2-Acetylphenyl)ethanone

Work with 1,2-Diacetylbenzene

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

2-Acetylbenzoic acid577-56-071 % similar 2′-Bromoacetophenone2142-69-070 % similar 2′-Methylacetophenone577-16-270 % similar 2'-Hydroxyacetophenone104809-67-867 % similar 2′-Hydroxyacetophenone118-93-467 % similar 2′-Chloroacetophenone2142-68-967 % similar 2′-Fluoroacetophenone445-27-267 % similar 2′-Aminoacetophenone551-93-967 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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