ChemSpider 2D Image | 4-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]benzoic acid | C15H14N3O8P

4-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]benzoic acid

  • Molecular FormulaC15H14N3O8P
  • Average mass395.261 Da
  • Monoisotopic mass395.051849 Da
  • ChemSpider ID22906195

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]benzoic acid [ACD/IUPAC Name]
4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
Acide 4-[(E)-{4-formyl-5-hydroxy-6-méthyl-3-[(phosphonooxy)méthyl]-2-pyridinyl}diazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-2-[4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]diazenyl]- [ACD/Index Name]
4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethyl-pyridin-2-ylazo)-benzoic acid
MRS2159

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

Density: 1.7±0.1 g/cm3
Boiling Point: 829.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.2±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 238.1±7.0 cm3

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