ChemSpider 2D Image | Methyl 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide | C13H13NO5S

Methyl 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

  • Molecular FormulaC13H13NO5S
  • Average mass295.311 Da
  • Monoisotopic mass295.051453 Da
  • ChemSpider ID24743807

More details:

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

1,1-Dioxyde de 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-(2-propen-1-yl)-, methyl ester, 1,1-dioxide [ACD/Index Name]
Methyl 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-2-allyl-4-hydroxy-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 460.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 232.0±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 65.65
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 92 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 206.9±3.0 cm3

Click to predict properties on the Chemicalize site


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