ChemSpider 2D Image | (1S,2R,3S,4S)-3-Carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid | C9H11NO3

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

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID23078799

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,3S,4S)-3-Carbamoylbicyclo[2.2.1]hept-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,2R,3S,4S)-3-Carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]hept-5-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(aminocarbonyl)-, (1S,2R,3S,4S)- [ACD/Index Name]
(1S,2R,3R,4S)-3-(aminocarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
(1S,4S,2R,3R)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
1265908-07-3 [RN]
1821751-61-4 [RN]
3-(aminocarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(aminocarbonyl)- [ACD/Index Name]
More...

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

MFCD06411472 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 129.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement