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Predicted properties of the compound entered.

ID QKNUQRIOFNUYQG-UHFFFAOYSA-N
Formula C12H10O3
IUPAC Name 1-(5-acetyl-1-benzofuran-2-yl)ethan-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C12H10O3/c1-7(13)9-3-4-11-10(5-9)6-12(15-11)8(2)14/h3-6H,1-2H3
Standard InChIKey (User Input) InChIKey=QKNUQRIOFNUYQG-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1-(2-acetyl-1-benzofuran-5-yl)ethanone | 1-(2-acetylbenzofuran-5-yl)ethanone | 1-(2-acetyl-5-benzofuranyl)ethanone | 1-(2-ethanoyl-1-benzofuran-5-yl)ethanone | 28221-81-0 | 2-Acetyl-5-acetylbenzofuran | Benzofuran, 2,5-diacetyl- | Ethanone, 1,1'-(2,5-benzofurandiyl)bis- | NSC247532
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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