ChemSpider 2D Image | (1R,2R)-2-Nitrocyclopropanecarboxylic acid | C4H5NO4

(1R,2R)-2-Nitrocyclopropanecarboxylic acid

  • Molecular FormulaC4H5NO4
  • Average mass131.087 Da
  • Monoisotopic mass131.021851 Da
  • ChemSpider ID29777955

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-Nitrocyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-Nitrocyclopropanecarboxylic acid [ACD/IUPAC Name]
22882-43-5 [RN]
Acide (1R,2R)-2-nitrocyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-nitro-, (1R,2R)- [ACD/Index Name]
Cyclopropanecarboxylic acid, 2-nitro-, (1R,2R)-rel- (9CI)
rel-(1R,2R)-2-Nitrocyclopropanecarboxylic acid
1909286-68-5 [RN]
MFCD28118693
MFCD28390175
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 337.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 164.5±13.3 °C
Index of Refraction: 1.530
Molar Refractivity: 26.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 84.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement