ChemSpider 2D Image | 3-[1-Cyano(2-~13~C,2-~2~H_1_)ethyl]benzoic acid | C913CH8DNO2

3-[1-Cyano(2-13C,2-2H1)ethyl]benzoic acid

  • Molecular FormulaC913CH8DNO2
  • Average mass177.183 Da
  • Monoisotopic mass177.072968 Da
  • ChemSpider ID77360562

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[1-Cyan(2-13C,2-2H1)ethyl]benzoesäure [German] [ACD/IUPAC Name]
3-[1-Cyano(2-13C,2-2H1)ethyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[1-cyano(2-13C,2-2H1)éthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-cyanoethyl-2-13C-2-d)- [ACD/Index Name]
3-(1-Cyanoethyl-2-13C-2-d)benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site


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