ChemSpider 2D Image | 4-(5-Amino-1,2-oxazol-3-yl)-6-isopropyl-1,3-benzenediol | C12H14N2O3

4-(5-Amino-1,2-oxazol-3-yl)-6-isopropyl-1,3-benzenediol

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID35035920

More details:






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

1,3-Benzenediol, 4-(5-amino-3-isoxazolyl)-6-(1-methylethyl)- [ACD/Index Name]
4-(5-Amino-1,2-Oxazol-3-Yl)-6-(Propan-2-Yl)benzene-1,3-Diol
4-(5-Amino-1,2-oxazol-3-yl)-6-isopropyl-1,3-benzenediol [ACD/IUPAC Name]
4-(5-Amino-1,2-oxazol-3-yl)-6-isopropyl-1,3-benzènediol [French] [ACD/IUPAC Name]
4-(5-Amino-1,2-oxazol-3-yl)-6-isopropyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
FJ3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 505.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 259.6±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 62.64
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 53.89
Polar Surface Area: 93 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 179.9±3.0 cm3

Click to predict properties on the Chemicalize site






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