ChemSpider 2D Image | 4-Cyano-3-thiophenecarboxylic acid | C6H3NO2S

4-Cyano-3-thiophenecarboxylic acid

  • Molecular FormulaC6H3NO2S
  • Average mass153.158 Da
  • Monoisotopic mass152.988449 Da
  • ChemSpider ID24191456

More details:

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

3-Thiophenecarboxylic acid, 4-cyano- [ACD/Index Name]
4-Cyan-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Cyano-3-thiophenecarboxylic acid [ACD/IUPAC Name]
4-cyanothiophene-3-carboxylic acid
Acide 4-cyano-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-THIOPHENECARBOXYLIC ACID 4-CYANO-
3-Thiophenecarboxylic acid, 4-cyano- (9CI)
4-Cyano-thiophene-3-carboxylic acid
78071-34-8 [RN]
MFCD01859850

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

Density: 1.5±0.1 g/cm3
Boiling Point: 367.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.2±23.7 °C
Index of Refraction: 1.626
Molar Refractivity: 35.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 101.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement