ChemSpider 2D Image | (1S,4R)-3-Carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid | C8H9NO4

(1S,4R)-3-Carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

  • Molecular FormulaC8H9NO4
  • Average mass183.161 Da
  • Monoisotopic mass183.053162 Da
  • ChemSpider ID61314382

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,4R)-3-Carbamoyl-7-oxabicyclo[2.2.1]hept-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,4R)-3-Carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(aminocarbonyl)-, (1S,4R)- [ACD/Index Name]
Acide (1S,4R)-3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ène-2-carboxylique [French] [ACD/IUPAC Name]
1933742-16-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 120.2±3.0 cm3

Click to predict properties on the Chemicalize site


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