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Search term: YJJCMPMXQUYKAT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid | C14H15NO7

5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC14H15NO7
  • Average mass309.271 Da
  • Monoisotopic mass309.084839 Da
  • ChemSpider ID22336851

More details:






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

3-Isoxazolecarboxylic acid, 5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-4-methyl- [ACD/Index Name]
5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(4,7-diméthoxy-1,3-benzodioxol-5-yl)-4-méthyl-4,5-dihydro-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
5-(4,7-dimethoxy(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-4-methyl-4,5-dihydroisoxaz ole-3-carboxylic acid
5-(4,7-dimethoxy(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-4-methyl-4,5-dihydroisoxazole-3-carboxylic acid
5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid
5-(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-4-methyl-4,5-dihydro-isoxazole-3-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 224.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 70.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 201.6±7.0 cm3

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