ChemSpider 2D Image | 3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)propanoic acid | C8H12N2O3

3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)propanoic acid

  • Molecular FormulaC8H12N2O3
  • Average mass184.193 Da
  • Monoisotopic mass184.084793 Da
  • ChemSpider ID21436424

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-(1-methylethyl)- [ACD/Index Name]
3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)propansäure [German] [ACD/IUPAC Name]
3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
947013-67-4 [RN]
Acide 3-(3-isopropyl-1,2,4-oxadiazol-5-yl)propanoïque [French] [ACD/IUPAC Name]
[947013-67-4] [RN]
1-(2-Nitrophenyl)cyclobutanecarboxylic acid [ACD/IUPAC Name]
3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-propionic acid
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoic 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: 351.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.6±28.4 °C
Index of Refraction: 1.497
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Click to predict properties on the Chemicalize site


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