ChemSpider 2D Image | 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidine-2-carboxylic acid | C12H13NO6S

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidine-2-carboxylic acid

  • Molecular FormulaC12H13NO6S
  • Average mass299.300 Da
  • Monoisotopic mass299.046356 Da
  • ChemSpider ID26053825

More details:

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

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-azetidinecarboxylic acid [ACD/IUPAC Name]
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidine-2-carboxylic acid
1311313-61-7 [RN]
2-Azetidinecarboxylic acid, 1-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]- [ACD/Index Name]
Acide 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
MFCD18483234 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 527.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.7±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 190.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement