ChemSpider 2D Image | inotilone | C12H10O4

inotilone

  • Molecular FormulaC12H10O4
  • Average mass218.205 Da
  • Monoisotopic mass218.057907 Da
  • ChemSpider ID22547096

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(3,4-Dihydroxybenzyliden)-5-methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
(2E)-2-(3,4-Dihydroxybenzylidene)-5-methyl-3(2H)-furanone [ACD/IUPAC Name]
(2E)-2-(3,4-Dihydroxybenzylidène)-5-méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
3(2H)-Furanone, 2-[(3,4-dihydroxyphenyl)methylene]-5-methyl-, (2E)- [ACD/Index Name]
906366-79-8 [RN]
inotilone
(2E)-2-[(3,4-Dihydroxyphenyl)methylene]-5-methyl-3(2H)-furanone
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methyl-2,3-dihydrofuran-3-one
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylfuran-3-one
1284249-40-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 491.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 198.9±22.2 °C
Index of Refraction: 1.701
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 94.50
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 86.29
Polar Surface Area: 67 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 152.2±3.0 cm3

Click to predict properties on the Chemicalize site


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