ChemSpider 2D Image | 3,4-Dihydroxy-5-(methoxycarbonyl)-2-thiophenecarboxylic acid | C7H6O6S

3,4-Dihydroxy-5-(methoxycarbonyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC7H6O6S
  • Average mass218.184 Da
  • Monoisotopic mass217.988510 Da
  • ChemSpider ID60802411

More details:

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

2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, monomethyl ester [ACD/Index Name]
3,4-Dihydroxy-5-(methoxycarbonyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3,4-Dihydroxy-5-(methoxycarbonyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3,4-dihydroxy-5-(méthoxycarbonyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1824308-93-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 446.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 223.9±28.7 °C
Index of Refraction: 1.669
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 88.8±3.0 dyne/cm
Molar Volume: 126.2±3.0 cm3

Click to predict properties on the Chemicalize site


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