ChemSpider 2D Image | 4-[(3-Carboxyphenyl)sulfonyl]-1,2,3-benzenetricarboxylic acid | C16H10O10S

4-[(3-Carboxyphenyl)sulfonyl]-1,2,3-benzenetricarboxylic acid

  • Molecular FormulaC16H10O10S
  • Average mass394.310 Da
  • Monoisotopic mass393.999481 Da
  • ChemSpider ID28683142

More details:

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

1,2,3-Benzenetricarboxylic acid, 4-[(3-carboxyphenyl)sulfonyl]- [ACD/Index Name]
4-[(3-Carboxyphenyl)sulfonyl]-1,2,3-benzenetricarboxylic acid [ACD/IUPAC Name]
4-[(3-Carboxyphenyl)sulfonyl]-1,2,3-benzoltricarbonsäure [German] [ACD/IUPAC Name]
Acide 4-[(3-carboxyphényl)sulfonyl]-1,2,3-benzènetricarboxylique [French] [ACD/IUPAC Name]
138370-78-2 [RN]
4-(3-Carboxybenzene-1-sulfonyl)benzene-1,2,3-tricarboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 770.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 88.5±3.0 dyne/cm
Molar Volume: 227.9±3.0 cm3

Click to predict properties on the Chemicalize site


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