ChemSpider 2D Image | Homovanillic acid sulfate | C9H10O7S

Homovanillic acid sulfate

  • Molecular FormulaC9H10O7S
  • Average mass262.237 Da
  • Monoisotopic mass262.014709 Da
  • ChemSpider ID21896746

More details:

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

[3-Methoxy-4-(sulfooxy)phenyl]acetic acid [ACD/IUPAC Name]
[3-Methoxy-4-(sulfooxy)phenyl]essigsäure [German] [ACD/IUPAC Name]
38339-06-9 [RN]
Acide [3-méthoxy-4-(sulfooxy)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-methoxy-4-(sulfooxy)- [ACD/Index Name]
Homovanillic acid sulfate
2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid
3-Methoxy-4-(sulfooxy)-benzeneacetic acid
4-Sulfooxy-3-methoxy-benzeneacetic acid
4-Sulfooxy-3-methoxyphenylacetic acid
More...

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

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: 1.587
Molar Refractivity: 56.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

Click to predict properties on the Chemicalize site


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