ChemSpider 2D Image | (4E)-6-{4-Hydroxy-7-methyl-6-[(~13~C,~2~H_3_)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoic acid | C1613CH17D3O6

(4E)-6-{4-Hydroxy-7-methyl-6-[(13C,2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoic acid

  • Molecular FormulaC1613CH17D3O6
  • Average mass324.348 Da
  • Monoisotopic mass324.148163 Da
  • ChemSpider ID62858060

  • Non-standard isotope - Non-standard isotope

More details:

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

(4E)-6-{4-Hydroxy-7-methyl-6-[(13C,2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-{4-Hydroxy-7-methyl-6-[(13C,2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[1,3-dihydro-4-hydroxy-7-methyl-6-(methyl-13C-d3-oxy)-3-oxo-5-isobenzofuranyl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-6-{4-hydroxy-7-méthyl-6-[(13C,2H3)méthyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-méthyl-4-hexénoïque [French] [ACD/IUPAC Name]
1261432-16-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 248.2±3.0 cm3

Click to predict properties on the Chemicalize site


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