ChemSpider 2D Image | (Bicyclo[1.1.1]pent-1-ylsulfonyl)acetic acid | C7H10O4S

(Bicyclo[1.1.1]pent-1-ylsulfonyl)acetic acid

  • Molecular FormulaC7H10O4S
  • Average mass190.217 Da
  • Monoisotopic mass190.029984 Da
  • ChemSpider ID77002321

More details:

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

(Bicyclo[1.1.1]pent-1-ylsulfonyl)acetic acid [ACD/IUPAC Name]
(Bicyclo[1.1.1]pent-1-ylsulfonyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-(bicyclo[1.1.1]pent-1-ylsulfonyl)- [ACD/Index Name]
Acide (bicyclo[1.1.1]pent-1-ylsulfonyl)acétique [French] [ACD/IUPAC Name]
2-{bicyclo[1.1.1]pentane-1-sulfonyl}acetic acid
2344680-35-7 [RN]
MFCD31924232

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 229.7±22.9 °C
Index of Refraction: 1.580
Molar Refractivity: 40.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 122.7±5.0 cm3

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