ChemSpider 2D Image | MFCD26142915 | C813C2H15NO3

MFCD26142915

  • Molecular FormulaC813C2H15NO3
  • Average mass199.216 Da
  • Monoisotopic mass199.111908 Da
  • ChemSpider ID49073610

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5RS)-3-Acetyl-13C2-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-2H-pyrrol-2-one
1486471-66-2 [RN]
200-659-6 [EINECS]
2H-Pyrrol-2-one, 1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-3-(1-oxoethyl-1,2-13C2)- [ACD/Index Name]
5-[(2S)-2-Butanyl]-3-(13C2)ethanoyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-[(2S)-2-Butanyl]-3-(13C2)ethanoyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-[(2S)-2-Butanyl]-3-(13C2)éthanoyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
MFCD26142915

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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