ChemSpider 2D Image | 1,3-Dihydro-2-benzofuran-4-carboxylic acid | C9H8O3

1,3-Dihydro-2-benzofuran-4-carboxylic acid

  • Molecular FormulaC9H8O3
  • Average mass164.158 Da
  • Monoisotopic mass164.047348 Da
  • ChemSpider ID34564957

More details:






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

1,3-Dihydro-2-benzofuran-4-carbonsäure [German] [ACD/IUPAC Name]
1,3-Dihydro-2-benzofuran-4-carboxylic acid [ACD/IUPAC Name]
4-Isobenzofurancarboxylic acid, 1,3-dihydro- [ACD/Index Name]
Acide 1,3-dihydro-2-benzofurane-4-carboxylique [French] [ACD/IUPAC Name]
1,3-dihydroisobenzofuran-4-carboxylic acid
90560-25-1 [RN]
C9H8O3
MFCD20642221

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 348.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 148.0±21.4 °C
Index of Refraction: 1.610
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.67
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

Click to predict properties on the Chemicalize site






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