Found 1 result

Search term: 57473000 (Found by CSID)
ChemSpider 2D Image | 6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-isochromen-1-one | C11H10O5

6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-isochromen-1-one

  • Molecular FormulaC11H10O5
  • Average mass222.194 Da
  • Monoisotopic mass222.052826 Da
  • ChemSpider ID57473000

More details:

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

1H-2-Benzopyran-1-one, 6,8-dihydroxy-4-(hydroxymethyl)-3-methyl- [ACD/Index Name]
6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-isochromen-1-one [ACD/IUPAC Name]
6,8-Dihydroxy-4-(hydroxyméthyl)-3-méthyl-1H-isochromén-1-one [French] [ACD/IUPAC Name]
136440-67-0 [RN]
1H-2-BENZOPYRAN-1-ONE,6,8-DIHYDROXY-4- (HYDROXYMETHYL)-3-METHYL-
6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-2-benzopyran-1-one
6,8-dihydroxy-4-(hydroxymethyl)-3-methylisochromen-1-one
Sescandelin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 522.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 212.6±23.6 °C
Index of Refraction: 1.654
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.66
ACD/KOC (pH 5.5): 454.86
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 11.24
ACD/KOC (pH 7.4): 139.40
Polar Surface Area: 87 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 148.5±3.0 cm3

Click to predict properties on the Chemicalize site


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