ChemSpider 2D Image | Methyl 2,4-dihydroxy-5-(isobutyrylamino)benzoate | C12H15NO5

Methyl 2,4-dihydroxy-5-(isobutyrylamino)benzoate

  • Molecular FormulaC12H15NO5
  • Average mass253.251 Da
  • Monoisotopic mass253.095016 Da
  • ChemSpider ID30658309

More details:

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

2,4-Dihydroxy-5-(isobutyrylamino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-5-[(2-methyl-1-oxopropyl)amino]-, methyl ester [ACD/Index Name]
Methyl 2,4-dihydroxy-5-(isobutyrylamino)benzoate [ACD/IUPAC Name]
Methyl-2,4-dihydroxy-5-(isobutyrylamino)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 503.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 258.0±25.9 °C
Index of Refraction: 1.601
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.99
ACD/KOC (pH 5.5): 433.21
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 20.66
ACD/KOC (pH 7.4): 263.24
Polar Surface Area: 96 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 190.7±3.0 cm3

Click to predict properties on the Chemicalize site


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