ChemSpider 2D Image | 2-(Cyanomethyl)-3-oxosuccinic acid | C6H5NO5

2-(Cyanomethyl)-3-oxosuccinic acid

  • Molecular FormulaC6H5NO5
  • Average mass171.108 Da
  • Monoisotopic mass171.016769 Da
  • ChemSpider ID72385452

More details:

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

2-(Cyanmethyl)-3-oxobernsteinsäure [German] [ACD/IUPAC Name]
2-(Cyanomethyl)-3-oxosuccinic acid [ACD/IUPAC Name]
Acide 2-(cyanométhyl)-3-oxosuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(cyanomethyl)-3-oxo- [ACD/Index Name]
2135332-81-7 [RN]
MFCD31555240

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

Density: 1.6±0.1 g/cm3
Boiling Point: 436.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±6.0 kJ/mol
Flash Point: 217.8±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -5.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 107.7±3.0 cm3

Click to predict properties on the Chemicalize site


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