ChemSpider 2D Image | 3-Methyl(3-~2~H)-2-benzofuran-1(3H)-one | C9H7DO2

3-Methyl(3-2H)-2-benzofuran-1(3H)-one

  • Molecular FormulaC9H7DO2
  • Average mass149.165 Da
  • Monoisotopic mass149.058701 Da
  • ChemSpider ID17343156

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1(3H)-Isobenzofuranone-3-d, 3-methyl- [ACD/Index Name]
3-Methyl(3-2H)-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-Methyl(3-2H)-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-Méthyl(3-2H)-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 270.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 107.9±21.7 °C
Index of Refraction: 1.552
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 212.06
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 212.06
Polar Surface Area: 26 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 126.1±3.0 cm3

Click to predict properties on the Chemicalize site


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