ChemSpider 2D Image | Ethyl (4E)-4-(hydroxyimino)-1-(methylsulfonyl)-3-pyrrolidinecarboxylate | C8H14N2O5S

Ethyl (4E)-4-(hydroxyimino)-1-(methylsulfonyl)-3-pyrrolidinecarboxylate

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID29577401

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(Hydroxyimino)-1-(méthylsulfonyl)-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(hydroxyimino)-1-(methylsulfonyl)-, ethyl ester, (4E)- [ACD/Index Name]
Ethyl (4E)-4-(hydroxyimino)-1-(methylsulfonyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(4E)-4-(hydroxyimino)-1-(methylsulfonyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1421312-65-3 [RN]
4-hydroxyimino-1-methanesulfonyl-pyrrolidine-3-carboxylic acid ethyl ester
Ethyl 4-(hydroxyimino)-1-(methylsulfonyl)pyrrolidine-3-carboxylate
MFCD23115371

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

CCRIS 4693 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 417.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 206.2±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 56.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.56
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.55
Polar Surface Area: 105 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 168.1±7.0 cm3

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