ChemSpider 2D Image | 6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-one | C12H13NO4S

6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-one

  • Molecular FormulaC12H13NO4S
  • Average mass267.301 Da
  • Monoisotopic mass267.056519 Da
  • ChemSpider ID27475301

More details:

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

1349199-62-7 [RN]
1-Oxa-6-azaspiro[3.3]heptan-3-one, 6-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
6-[(4-Methylphenyl)sulfonyl]-1-oxa-6-azaspiro[3.3]heptan-3-on [German] [ACD/IUPAC Name]
6-[(4-Methylphenyl)sulfonyl]-1-oxa-6-azaspiro[3.3]heptan-3-one [ACD/IUPAC Name]
6-[(4-Méthylphényl)sulfonyl]-1-oxa-6-azaspiro[3.3]heptan-3-one [French] [ACD/IUPAC Name]
6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-one
6-(4-METHYLBENZENESULFONYL)-1-OXA-6-AZASPIRO[3.3]HEPTAN-3-ONE
MFCD22370136 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.54
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 177.54
Polar Surface Area: 72 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 180.6±5.0 cm3

Click to predict properties on the Chemicalize site


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