ChemSpider 2D Image | 3-[6-Hydroxy-7,8-dimethyl-2-(~2~H_3_)methyl-3,4-dihydro-2H-chromen-2-yl](3,3-~2~H_2_)propanoic acid | C15H15D5O4

3-[6-Hydroxy-7,8-dimethyl-2-(2H3)methyl-3,4-dihydro-2H-chromen-2-yl](3,3-2H2)propanoic acid

  • Molecular FormulaC15H15D5O4
  • Average mass269.348 Da
  • Monoisotopic mass269.167542 Da
  • ChemSpider ID107432561

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-2-propanoic-β,β-d2 acid, 3,4-dihydro-6-hydroxy-7,8-dimethyl-2-(methyl-d3)- [ACD/Index Name]
3-[6-Hydroxy-7,8-dimethyl-2-(2H3)methyl-3,4-dihydro-2H-chromen-2-yl](3,3-2H2)propanoic acid [ACD/IUPAC Name]
3-[6-Hydroxy-7,8-dimethyl-2-(2H3)methyl-3,4-dihydro-2H-chromen-2-yl](3,3-2H2)propansäure [German] [ACD/IUPAC Name]
Acide 3-[6-hydroxy-7,8-diméthyl-2-(2H3)méthyl-3,4-dihydro-2H-chromén-2-yl](3,3-2H2)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 174.5±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 10.77
ACD/KOC (pH 5.5): 100.82
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 67 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 225.4±3.0 cm3

Click to predict properties on the Chemicalize site


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