Found 331 results

Search term: MF = 'C_{13}H_{13}NO_{6}S'
ChemSpider 2D Image | 1,1,3-trioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid | C13H13NO6S

1,1,3-trioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid

  • Molecular FormulaC13H13NO6S
  • Average mass311.310 Da
  • Monoisotopic mass311.046356 Da
  • ChemSpider ID24292007

More details:

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

1,1,3-trioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1??,2-benzothiazole-6-carboxylic acid
1,2-Benzisothiazole-6-carboxylic acid, 2,3-dihydro-3-oxo-2-[(tetrahydro-2-furanyl)methyl]-, 1,1-dioxide [ACD/Index Name]
1040074-58-5 [RN]
3-Oxo-2-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1,2-benzothiazol-6-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
3-Oxo-2-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 3-oxo-2-(tétrahydro-2-furanylméthyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylique [French] [ACD/IUPAC Name]
1,1,3-Trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
1,1,3-trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1λ6,2-benzothiazole-6-carboxylic acid
1,1,3-trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1λ6,2-benzothiazole-6-carboxylic acid
1,1,3-TRIOXO-2-(OXOLAN-2-YLMETHYL)-2,3-DIHYDRO-1λ6-1,2-BENZOTHIAZOLE-6-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 577.5±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.1±31.8 °C
Index of Refraction: 1.637
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

Click to predict properties on the Chemicalize site


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