Found 2 results

Search term: JWWNTVZAXCYTJC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one | C10H14O4

5,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one

  • Molecular FormulaC10H14O4
  • Average mass198.216 Da
  • Monoisotopic mass198.089203 Da
  • ChemSpider ID24022736

More details:

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

1H-2-Benzopyran-1-one, 3,4,4a,5,6,7-hexahydro-5,8-dihydroxy-3-methyl- [ACD/Index Name]
5,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
5,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one [ACD/IUPAC Name]
5,8-Dihydroxy-3-méthyl-3,4,4a,5,6,7-hexahydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1212375-18-2 [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: 419.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 170.9±22.2 °C
Index of Refraction: 1.562
Molar Refractivity: 48.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.45
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 149.9±5.0 cm3

Click to predict properties on the Chemicalize site


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