ChemSpider 2D Image | (2E)-3-{3-[(~2~H_3_)Methyloxy]-4-(sulfooxy)phenyl}acrylic acid | C10H7D3O7S

(2E)-3-{3-[(2H3)Methyloxy]-4-(sulfooxy)phenyl}acrylic acid

  • Molecular FormulaC10H7D3O7S
  • Average mass277.266 Da
  • Monoisotopic mass277.033539 Da
  • ChemSpider ID48063002

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-{3-[(2H3)Methyloxy]-4-(sulfooxy)phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{3-[(2H3)Methyloxy]-4-(sulfooxy)phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-(methyl-d3-oxy)-4-(sulfooxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3-[(2H3)méthyloxy]-4-(sulfooxy)phényl}acrylique [French] [ACD/IUPAC Name]
(E)-3-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]prop-2-enoic acid
1795142-64-1 [RN]

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: 1.609
Molar Refractivity: 60.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

Click to predict properties on the Chemicalize site


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