ChemSpider 2D Image | 2,2'-{[(Cyclopropylmethyl)sulfonyl]imino}diacetic acid | C8H13NO6S

2,2'-{[(Cyclopropylmethyl)sulfonyl]imino}diacetic acid

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID45881650

More details:

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

2,2'-{[(Cyclopropylmethyl)sulfonyl]imino}diacetic acid [ACD/IUPAC Name]
2,2'-{[(Cyclopropylmethyl)sulfonyl]imino}diessigsäure [German] [ACD/IUPAC Name]
Acide 2,2'-{[(cyclopropylméthyl)sulfonyl]imino}diacétique [French] [ACD/IUPAC Name]
Glycine, N-(carboxymethyl)-N-[(cyclopropylmethyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 516.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 265.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

Click to predict properties on the Chemicalize site


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