ChemSpider 2D Image | (3E)-3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one | C12H14O2

(3E)-3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one

  • Molecular FormulaC12H14O2
  • Average mass190.238 Da
  • Monoisotopic mass190.099380 Da
  • ChemSpider ID35013431

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(2-Methylpropyliden)-3a,4-dihydro-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3E)-3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3E)-3-(2-Méthylpropylidène)-3a,4-dihydro-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 3a,4-dihydro-3-(2-methylpropylidene)-, (3E)- [ACD/Index Name]
(3E)-3-(2-methylpropylidene)-1,3,3a,4-tetrahydro-2-benzofuran-1-one
(3E)-3-(2-methylpropylidene)-3a,4-dihydro-2-benzofuran-1-one
3-(2-Methylpropylidene)-3a,4-dihydro-1(3H)-isobenzofuranone
3-(2-Methylpropylidene)-3α,4-dihydro-1(3H)-isobenzofuranone
3-Isobutylidene-3a,4-dihydrophthalide
6-(1-Hydroxy-3-methyl-1-butenyl)-1,3-cyclohexadiene-1-carboxylic acid g-lactone

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 350.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 146.2±22.2 °C
Index of Refraction: 1.542
Molar Refractivity: 54.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.66
ACD/KOC (pH 5.5): 1236.65
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.66
ACD/KOC (pH 7.4): 1236.65
Polar Surface Area: 26 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 173.6±5.0 cm3

Click to predict properties on the Chemicalize site


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