ChemSpider 2D Image | [1-(Methylsulfonyl)cyclopropyl]acetic acid | C6H10O4S

[1-(Methylsulfonyl)cyclopropyl]acetic acid

  • Molecular FormulaC6H10O4S
  • Average mass178.206 Da
  • Monoisotopic mass178.029984 Da
  • ChemSpider ID44254473

More details:

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

[1-(Methylsulfonyl)cyclopropyl]acetic acid [ACD/IUPAC Name]
[1-(Methylsulfonyl)cyclopropyl]essigsäure [German] [ACD/IUPAC Name]
1887209-88-2 [RN]
2-(1-(Methylsulfonyl)cyclopropyl)acetic acid
Acide [1-(méthylsulfonyl)cyclopropyl]acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-(methylsulfonyl)- [ACD/Index Name]
DS-9911
MFCD29477678

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

Density: 1.4±0.1 g/cm3
Boiling Point: 438.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 219.0±20.1 °C
Index of Refraction: 1.527
Molar Refractivity: 38.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 124.5±5.0 cm3

Click to predict properties on the Chemicalize site


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