ChemSpider 2D Image | (1R,6R)-6-Carbamoyl-3-cyclohexene-1-carboxylic acid | C8H11NO3

(1R,6R)-6-Carbamoyl-3-cyclohexene-1-carboxylic acid

  • Molecular FormulaC8H11NO3
  • Average mass169.178 Da
  • Monoisotopic mass169.073898 Da
  • ChemSpider ID29303974
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,6R)-6-Carbamoyl-3-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,6R)-6-Carbamoyl-3-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 6-(aminocarbonyl)-, (1R,6R)- [ACD/Index Name]
Acide (1R,6R)-6-carbamoyl-3-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(1R,6R)-6-Carbamoylcyclohex-3-enecarboxylic acid
1448850-60-9 [RN]
MFCD22581694

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 218.8±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 41.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 130.4±3.0 cm3

Click to predict properties on the Chemicalize site






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