ChemSpider 2D Image | 1-{2-[(tert-Butoxy)carbonyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylic acid | C16H18N2O4

1-{2-[(tert-Butoxy)carbonyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC16H18N2O4
  • Average mass302.325 Da
  • Monoisotopic mass302.126648 Da
  • ChemSpider ID24765723

More details:

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

1-[2-[(1,1-Dimethylethoxy)carbonyl]phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
1-{2-[(tert-Butoxy)carbonyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylic acid
1246738-28-2 [RN]
1H-Pyrazole-3-carboxylic acid, 1-[2-[(1,1-dimethylethoxy)carbonyl]phenyl]-5-methyl- [ACD/Index Name]
5-Methyl-1-(2-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-(2-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-(2-{[(2-méthyl-2-propanyl)oxy]carbonyl}phényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1-(2-(tert-Butoxycarbonyl)phenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
1-[2-(tert-Butoxycarbonyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
1-[2-(TERT-BUTOXYCARBONYL)PHENYL]-5-METHYLPYRAZOLE-3-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 474.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.5±25.9 °C
Index of Refraction: 1.572
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 15.44
ACD/KOC (pH 5.5): 94.63
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 81 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 248.9±7.0 cm3

Click to predict properties on the Chemicalize site


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