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Search term: 24022210 (Found by CSID)
ChemSpider 2D Image | 5,7-dihydroxy-4-methylphthalide | C9H8O4

5,7-dihydroxy-4-methylphthalide

  • Molecular FormulaC9H8O4
  • Average mass180.157 Da
  • Monoisotopic mass180.042252 Da
  • ChemSpider ID24022210

More details:

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

1(3H)-Isobenzofuranone, 5,7-dihydroxy-4-methyl- [ACD/Index Name]
27979-57-3 [RN]
5,7-dihydroxy-4-methyl-1,3-dihydro-2-benzofuran-1-one
5,7-Dihydroxy-4-methyl-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-4-methyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
5,7-Dihydroxy-4-méthyl-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-one
5,7-dihydroxy-4-methylphthalide
3,5-dihydroxy-6-methylphthalide
4-methyl-5,7-dihydroxyisobenzofuran-1(3h)-one
More...

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

EH1U60N12M [DBID]
UNII:EH1U60N12M [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of 2-benzofurans that is 1,3-dihydro-2-benzofuran substituted by oxo, methyl, hydroxy and hydroxy groups at positions 1,4,5, and 7, respectively. It is a natural product found in several genera of fungi including Eurotium repens. ChEBI CHEBI:68194

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 206.9±21.9 °C
Index of Refraction: 1.663
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.93
ACD/KOC (pH 5.5): 306.76
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.14
ACD/KOC (pH 7.4): 265.86
Polar Surface Area: 67 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 119.2±3.0 cm3

Click to predict properties on the Chemicalize site


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