ChemSpider 2D Image | (2-Acetyl-3,5-dihydroxy-4-methylphenyl)acetic acid | C11H12O5

(2-Acetyl-3,5-dihydroxy-4-methylphenyl)acetic acid

  • Molecular FormulaC11H12O5
  • Average mass224.210 Da
  • Monoisotopic mass224.068466 Da
  • ChemSpider ID30830132

More details:

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

(2-Acetyl-3,5-dihydroxy-4-methylphenyl)acetic acid [ACD/IUPAC Name]
(2-Acetyl-3,5-dihydroxy-4-methylphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2-acétyl-3,5-dihydroxy-4-méthylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-acetyl-3,5-dihydroxy-4-methyl- [ACD/Index Name]
6-methylcurvulinic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 258.5±19.4 °C
Index of Refraction: 1.610
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 161.5±3.0 cm3

Click to predict properties on the Chemicalize site


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