ChemSpider 2D Image | (3R)-3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate | C12H15NO4

(3R)-3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID32787652

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate [ACD/IUPAC Name]
(3R)-3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl-methylcarbamat [German] [ACD/IUPAC Name]
3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate), (3R)- [ACD/Index Name]
Méthylcarbamate de (3R)-3-hydroxy-2,2-diméthyl-2,3-dihydro-1-benzofuran-7-yle [French] [ACD/IUPAC Name]
16655-82-6 [RN]
3-Hydroxycarbofuran
UNII-7J7N7A61BJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 162.2±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 57.44
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.44
Polar Surface Area: 68 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 191.4±3.0 cm3

Click to predict properties on the Chemicalize site


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