ChemSpider 2D Image | 4-(Phosphonomethyl)-2-pyridinecarboxylic acid | C7H8NO5P

4-(Phosphonomethyl)-2-pyridinecarboxylic acid

  • Molecular FormulaC7H8NO5P
  • Average mass217.116 Da
  • Monoisotopic mass217.014008 Da
  • ChemSpider ID14397474

More details:

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

2-Pyridinecarboxylic acid, 4-(phosphonomethyl)- [ACD/Index Name]
4-(Phosphonomethyl)-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
4-(Phosphonomethyl)-2-pyridinecarboxylic acid [ACD/IUPAC Name]
4-(phosphonomethyl)pyridine-2-carboxylic acid
Acide 4-(phosphonométhyl)-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
113190-82-2 [RN]
4-(phosphonomethyl)-2-pyridine carboxylic acid
4-Phosphonomethyl-pyridine-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352963/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 587.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 46.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 130.7±3.0 cm3

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