ChemSpider 2D Image | 5-(Methoxycarbonyl)-2-sulfobenzoic acid | C9H8O7S

5-(Methoxycarbonyl)-2-sulfobenzoic acid

  • Molecular FormulaC9H8O7S
  • Average mass260.221 Da
  • Monoisotopic mass259.999084 Da
  • ChemSpider ID67493196

More details:

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

1,3-Benzenedicarboxylic acid, 4-sulfo-, 1-methyl ester [ACD/Index Name]
5-(Methoxycarbonyl)-2-sulfobenzoesäure [German] [ACD/IUPAC Name]
5-(Methoxycarbonyl)-2-sulfobenzoic acid [ACD/IUPAC Name]
Acide 5-(méthoxycarbonyl)-2-sulfobenzoïque [French] [ACD/IUPAC Name]
5-methoxycarbonyl-2-sulfobenzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 54.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

Click to predict properties on the Chemicalize site


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