ChemSpider 2D Image | (3aR)-3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione | C8H8O3

(3aR)-3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione

  • Molecular FormulaC8H8O3
  • Average mass152.147 Da
  • Monoisotopic mass152.047348 Da
  • ChemSpider ID57523969

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3aR)-3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
(3aR)-3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione [ACD/IUPAC Name]
(3aR)-3a,4,7,7a-Tétrahydro-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR)- [ACD/Index Name]
13149-03-6 [RN]
trans-4-Cyclohexene-1,2-dicarboxylic anhydride

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

Density: 1.3±0.1 g/cm3
Boiling Point: 305.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 148.3±25.1 °C
Index of Refraction: 1.529
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.30
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.30
Polar Surface Area: 43 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 118.0±3.0 cm3

Click to predict properties on the Chemicalize site


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