Found 1 result

Search term: InChI=1S/C6H10O3/c1-5(9)6(4-8)2-3-7/h4,6-7H,2-3H2,1H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 2-(2-Hydroxyethyl)-3-oxobutanal | C6H10O3

2-(2-Hydroxyethyl)-3-oxobutanal

  • Molecular FormulaC6H10O3
  • Average mass130.142 Da
  • Monoisotopic mass130.062988 Da
  • ChemSpider ID24192296

More details:






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

2-(2-Hydroxyethyl)-3-oxobutanal [ACD/IUPAC Name]
2-(2-Hydroxyethyl)-3-oxobutanal [German] [ACD/IUPAC Name]
2-(2-Hydroxyéthyl)-3-oxobutanal [French] [ACD/IUPAC Name]
Butanal, 2-(2-hydroxyethyl)-3-oxo- [ACD/Index Name]
88825-41-6 [RN]
Butanal, 2-acetyl-4-hydroxy- (9CI)
BUTANAL,2-ACETYL-4-HYDROXY-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 267.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.7±6.0 kJ/mol
Flash Point: 129.8±22.4 °C
Index of Refraction: 1.439
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.59
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 54 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 119.9±3.0 cm3

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