Found 1 result

Search term: InChI=1S/C6H12O3/c1-6(2,9)3-5(8)4-7/h7,9H,3-4H2,1-2H3 (Found by conversion of search term to chemical structure (skeleton match))

ChemSpider 2D Image | 2,4-Dihydroxy-4-methylpentanal | C6H12O3

2,4-Dihydroxy-4-methylpentanal

  • Molecular FormulaC6H12O3
  • Average mass132.158 Da
  • Monoisotopic mass132.078644 Da
  • ChemSpider ID60678577

More details:






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

2,4-Dihydroxy-4-methylpentanal [German] [ACD/IUPAC Name]
2,4-Dihydroxy-4-methylpentanal [ACD/IUPAC Name]
2,4-Dihydroxy-4-méthylpentanal [French] [ACD/IUPAC Name]
Pentanal, 2,4-dihydroxy-4-methyl- [ACD/Index Name]
349484-04-4 [RN]
MFCD24685547

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

Density: 1.1±0.1 g/cm3
Boiling Point: 269.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.9±6.0 kJ/mol
Flash Point: 131.0±21.1 °C
Index of Refraction: 1.461
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.83
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.83
Polar Surface Area: 58 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 120.3±3.0 cm3

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