ChemSpider 2D Image | (5-Cyano-2-furyl)(oxo)acetic acid | C7H3NO4

(5-Cyano-2-furyl)(oxo)acetic acid

  • Molecular FormulaC7H3NO4
  • Average mass165.103 Da
  • Monoisotopic mass165.006210 Da
  • ChemSpider ID98408271

More details:

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

(5-Cyan-2-furyl)(oxo)essigsäure [German] [ACD/IUPAC Name]
(5-Cyano-2-furyl)(oxo)acetic acid [ACD/IUPAC Name]
2-Furanacetic acid, 5-cyano-α-oxo- [ACD/Index Name]
Acide (5-cyano-2-furyl)(oxo)acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 328.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 152.2±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 34.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 106.8±5.0 cm3

Click to predict properties on the Chemicalize site


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