ChemSpider 2D Image | azoxystrobin acid | C21H15N3O5

azoxystrobin acid

  • Molecular FormulaC21H15N3O5
  • Average mass389.361 Da
  • Monoisotopic mass389.101166 Da
  • ChemSpider ID28184900
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-(2-{[6-(2-Cyanophenoxy)-4-pyrimidinyl]oxy}phenyl)-3-methoxyacrylic acid [ACD/IUPAC Name]
(2E)-2-(2-{[6-(2-Cyanphenoxy)-4-pyrimidinyl]oxy}phenyl)-3-methoxyacrylsäure [German] [ACD/IUPAC Name]
(αE)-2-[[6-(2-Cyanophenoxy)-4-pyrimidinyl]oxy]-α-(methoxymethylene)benzeneacetic acid
Acide (2E)-2-(2-{[6-(2-cyanophénoxy)-4-pyrimidinyl]oxy}phényl)-3-méthoxyacrylique [French] [ACD/IUPAC Name]
azoxystrobin acid
Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-α-(methoxymethylene)-, (αE)- [ACD/Index Name]
T6N CNJ DOR BYVQ&U1O1& FOR BCN &&E Form [WLN]
(2E)-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid
(2E)-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
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  • Miscellaneous
    • Chemical Class:

      An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin. ChEBI CHEBI:83496

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 101.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 9.95
ACD/KOC (pH 5.5): 78.21
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 115 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

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