ChemSpider 2D Image | 3-(Sulfomethyl)-2,4-hexadienedioic acid | C7H8O7S

3-(Sulfomethyl)-2,4-hexadienedioic acid

  • Molecular FormulaC7H8O7S
  • Average mass236.199 Da
  • Monoisotopic mass235.999069 Da
  • ChemSpider ID28713294

More details:

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

2,4-Hexadienedioic acid, 3-(sulfomethyl)- [ACD/Index Name]
3-(Sulfomethyl)-2,4-hexadiendisäure [German] [ACD/IUPAC Name]
3-(Sulfomethyl)-2,4-hexadienedioic acid [ACD/IUPAC Name]
Acide 3-(sulfométhyl)-2,4-hexadiènedioïque [French] [ACD/IUPAC Name]
3-(SULFOMETHYL)HEXA-2,4-DIENEDIOIC ACID
96163-60-9 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 47.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -7.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 87.4±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site


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