ChemSpider 2D Image | 3-(3,4-Dihydroxyphenyl)-2-iminopropanoic acid | C9H9NO4

3-(3,4-Dihydroxyphenyl)-2-iminopropanoic acid

  • Molecular FormulaC9H9NO4
  • Average mass195.172 Da
  • Monoisotopic mass195.053162 Da
  • ChemSpider ID22377418

More details:

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

(2E)-3-(3,4-Dihydroxyphenyl)-2-iminopropanoic acid [ACD/IUPAC Name]
3-(3,4-Dihydroxyphenyl)-2-iminopropanoic acid [ACD/IUPAC Name]
3-(3,4-Dihydroxyphenyl)-2-iminopropansäure [German] [ACD/IUPAC Name]
Acide 3-(3,4-dihydroxyphényl)-2-iminopropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,4-dihydroxy-α-imino- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 454.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 46.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 134.9±7.0 cm3

Click to predict properties on the Chemicalize site


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