ChemSpider 2D Image | 3,5-Bis(2-cyano-2-propanyl)benzoic acid | C15H16N2O2

3,5-Bis(2-cyano-2-propanyl)benzoic acid

  • Molecular FormulaC15H16N2O2
  • Average mass256.300 Da
  • Monoisotopic mass256.121185 Da
  • ChemSpider ID58972314

More details:

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

3,5-Bis(2-cyan-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
3,5-Bis(2-cyano-2-propanyl)benzoic acid [ACD/IUPAC Name]
Acide 3,5-bis(2-cyano-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(1-cyano-1-methylethyl)- [ACD/Index Name]
1085181-50-5 [RN]
3,5-bis(1-cyano-1-methylethyl)benzoic acid
3,5-bis(2-cyanopropan-2-yl)benzoic acid
Anastrozole Carboxylic Acid (3,5-Bis(1-cyano-1-methylethyl)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: 428.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 212.9±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 28.75
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 85 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 222.1±3.0 cm3

Click to predict properties on the Chemicalize site


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