ChemSpider 2D Image | 3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)-3-methyl-2-butanyl acetate | C18H24O7

3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)-3-methyl-2-butanyl acetate

  • Molecular FormulaC18H24O7
  • Average mass352.379 Da
  • Monoisotopic mass352.152191 Da
  • ChemSpider ID35013112

More details:

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

1H-2-Benzopyran-1-one, 7-[2-(acetyloxy)-3-hydroxy-3-methylbutyl]-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl- [ACD/Index Name]
3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)-3-methyl-2-butanyl acetate [ACD/IUPAC Name]
3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)-3-methyl-2-butanyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-hydroxy-1-(8-hydroxy-6-méthoxy-3-méthyl-1-oxo-3,4-dihydro-1H-isochromén-7-yl)-3-méthyl-2-butanyle [French] [ACD/IUPAC Name]
177795-33-4 [RN]
3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate
3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate
Coriandrone D

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: 1.2±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 204.7±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.65
ACD/KOC (pH 5.5): 937.81
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.71
ACD/KOC (pH 7.4): 928.90
Polar Surface Area: 102 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

Click to predict properties on the Chemicalize site


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