ChemSpider 2D Image | 2-Hydroxy-2-methyl-3-{[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino}propanoic acid | C13H14N2O8

2-Hydroxy-2-methyl-3-{[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino}propanoic acid

  • Molecular FormulaC13H14N2O8
  • Average mass326.259 Da
  • Monoisotopic mass326.075012 Da
  • ChemSpider ID54481265

More details:

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

2-Hydroxy-2-methyl-3-{[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino}propanoic acid [ACD/IUPAC Name]
2-Hydroxy-2-methyl-3-{[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino}propansäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-2-méthyl-3-{[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)carbonyl]amino]-2-hydroxy-2-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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