ChemSpider 2D Image | (2-Amino-4-cyanophenyl)acetic acid | C9H8N2O2

(2-Amino-4-cyanophenyl)acetic acid

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID60833651

More details:

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

(2-Amino-4-cyanophenyl)acetic acid [ACD/IUPAC Name]
(2-Amino-4-cyanphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2-amino-4-cyanophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-amino-4-cyano- [ACD/Index Name]
1824597-73-0 [RN]
MFCD22480934

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 225.0±25.9 °C
Index of Refraction: 1.618
Molar Refractivity: 45.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 130.9±5.0 cm3

Click to predict properties on the Chemicalize site


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