ChemSpider 2D Image | (~2~H_3_)Methyl 2,4-dihydroxy-6-methylbenzoate | C9H7D3O4

(2H3)Methyl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID28296527

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
(2H3)Methyl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-méthylbenzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl-d3 ester [ACD/Index Name]
1365988-21-1 [RN]
D3-Methyl 2,4-dihydroxy-6-methyl benzoate
MFCD21332908

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

Density: 1.3±0.1 g/cm3
Boiling Point: 339.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 138.1±15.8 °C
Index of Refraction: 1.578
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.52
ACD/KOC (pH 5.5): 568.22
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 43.54
ACD/KOC (pH 7.4): 499.64
Polar Surface Area: 67 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 140.5±3.0 cm3

Click to predict properties on the Chemicalize site


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