chempirical

2-Acetylfuran

C6H6O2CAS 1192-62-7110.11 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C6H6O2
Molar mass
110.11 g/mol
Exact mass
110.0368 Da
Density
1.0975 g/mL (at 20 °C)
Melting point
33 °C
Boiling point
175 °C
logP
1.48Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1192-62-7
SMILES
CC(=O)c1ccco1
InChIKey
IEMMBWWQXVXBEU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(2-furanyl)-
  • Ketone, 2-furyl methyl
  • 1-(2-Furanyl)ethanone
  • Methyl 2-furyl ketone
  • 2-Furyl methyl ketone
  • 2-Furylethanone
  • 1-(2-Furyl)ethanone
  • α-Acetylfuran
  • NSC 4665
  • NSC 49133
  • 1-(Furan-2-yl)ethan-1-one

Work with 2-Acetylfuran

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

Alpha-furil492-94-458 % similar 2-Furoyl chloride527-69-552 % similar 2-Furancarboxamide609-38-152 % similar 2-Furoic acid88-14-252 % similar Methyl 2-thiofuroate13679-61-352 % similar Methyl 2-furoate611-13-252 % similar 1-(2-Furanyl)-1,3-butanedione25790-35-652 % similar 1,2-Diacetylbenzene704-00-750 % similar

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

Same formula

Propargyl acrylate10477-47-1 Resorcinol108-46-3 Catechol120-80-9 Hydroquinone123-31-9 2,4-Hexadiyne-1,6-diol3031-68-3 5-Methylfurfural620-02-0

Elsewhere

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