ChemSpider 2D Image | 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid | C9H9NO5

5-(2'-formylethyl)-4,6-dihydroxypicolinic acid

  • Molecular FormulaC9H9NO5
  • Average mass211.171 Da
  • Monoisotopic mass211.048065 Da
  • ChemSpider ID30791294

More details:






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

2-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-5-(3-oxopropyl)- [ACD/Index Name]
4-Hydroxy-6-oxo-5-(3-oxopropyl)-1,6-dihydro-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
4-Hydroxy-6-oxo-5-(3-oxopropyl)-1,6-dihydro-2-pyridinecarboxylic acid [ACD/IUPAC Name]
5-(2'-formylethyl)-4,6-dihydroxypicolinic acid
Acide 4-hydroxy-6-oxo-5-(3-oxopropyl)-1,6-dihydro-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
4-hydroxy-6-oxo-5-(3-oxopropyl)-1,6-dihydropyridine-2-carboxylic acid
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2010

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

Density: 1.5±0.1 g/cm3
Boiling Point: 438.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 219.1±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 140.2±3.0 cm3

Click to predict properties on the Chemicalize site






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