ChemSpider 2D Image | 3-[(2S)-2,3-Dihydroxypropyl]-2-methyl-4(3H)-quinazolinone | C12H14N2O3

3-[(2S)-2,3-Dihydroxypropyl]-2-methyl-4(3H)-quinazolinone

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID34993513

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2S)-2,3-Dihydroxypropyl]-2-methyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-[(2S)-2,3-Dihydroxypropyl]-2-methyl-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[(2S)-2,3-Dihydroxypropyl]-2-méthyl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-[(2S)-2,3-dihydroxypropyl]-2-methyl- [ACD/Index Name]
253-081-1 [EINECS]
36518-02-2 [RN]
diproqualone [INN] [Wiki]
UNII-QY7HLH8V4L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 478.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.2±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 62.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.07
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.09
Polar Surface Area: 73 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 175.3±7.0 cm3

Click to predict properties on the Chemicalize site


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