chempirical

1,3-Diacetylbenzene

C10H10O2CAS 6781-42-6162.19 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
32 °C
Boiling point
152 °C
logP
2.09Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6781-42-6
SMILES
CC(=O)c1cccc(C(C)=O)c1
InChIKey
VCHOFVSNWYPAEF-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1,1′-(1,3-phenylene)bis-
  • Benzene, m-diacetyl-
  • 1,1′-(1,3-Phenylene)bis[ethanone]
  • m-Diacetylbenzene
  • 1,3-Bis(1-oxoethyl)benzene
  • 2,6-Diacetylbenzene
  • 3-Acetylacetophenone
  • 1-(3-Acetylphenyl)ethanone
  • m-Acetylacetophenone

Work with 1,3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Acetylbenzoic acid586-42-573 % similar 3′-Fluoroacetophenone455-36-772 % similar 3′-Methylacetophenone585-74-072 % similar 1-(3-Chlorophenyl)ethanone99-02-572 % similar 3-Hydroxyacetophenone121-71-169 % similar 3-Iodoacetophenone14452-30-369 % similar 3′-Aminoacetophenone99-03-669 % similar Acetophenone98-86-268 % 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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