ChemSpider 2D Image | (4E)-6-[4-(~2~H)Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexen(~2~H)oic acid | C17H18D2O6

(4E)-6-[4-(2H)Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexen(2H)oic acid

  • Molecular FormulaC17H18D2O6
  • Average mass322.349 Da
  • Monoisotopic mass322.138550 Da
  • ChemSpider ID95558790

  • Non-standard isotope - Non-standard isotope

More details:

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

(4E)-6-[4-(2H)Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexen(2H)oic acid [ACD/IUPAC Name]
(4E)-6-[4-(2H)Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methyl-4-hexen(2H)säure [German] [ACD/IUPAC Name]
4-Hexenoic acid-d, 6-[1,3-dihydro-4-(hydroxy-d)-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-6-[4-(2H)hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-méthyl-4-hexén(2H)oïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 225.8±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 32.56
ACD/KOC (pH 5.5): 238.88
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.77
Polar Surface Area: 93 Å2
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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