ChemSpider 2D Image | 3-(4-Hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl)propanoic acid | C9H11NO4

3-(4-Hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl)propanoic acid

  • Molecular FormulaC9H11NO4
  • Average mass197.188 Da
  • Monoisotopic mass197.068802 Da
  • ChemSpider ID17896710

More details:

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

1(2H)-Pyridinepropanoic acid, 4-hydroxy-6-methyl-2-oxo- [ACD/Index Name]
3-(4-Hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl)propanoic acid [ACD/IUPAC Name]
3-(4-Hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl)propansäure [German] [ACD/IUPAC Name]
3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)propanoic acid
Acide 3-(4-hydroxy-6-méthyl-2-oxo-1(2H)-pyridinyl)propanoïque [French] [ACD/IUPAC Name]
3-(4-hydroxy-2-methyl-6-oxopyridin-1-yl)propanoic acid
3-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
3-(4-Hydroxy-6-methyl-2-oxo-2H-pyridin-1-yl)-propionic acid
3-(4-hydroxy-6-methyl-2-oxohydropyridyl)propanoic acid
3-[4-hydroxy-2-methyl-6-oxo-1(6H)-pyridinyl]propanoic acid

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

MFCD08568507 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 435.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 217.1±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 142.3±3.0 cm3

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