Found 1 result

Search term: InChI=1S/C9H14O3/c1-7(11)3-4-9(5-6-10)8(2)12/h6,9H,3-5H2,1-2H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 3-Acetyl-6-oxoheptanal | C9H14O3

3-Acetyl-6-oxoheptanal

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID28570288

More details:






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

3-Acetyl-6-oxoheptanal [German] [ACD/IUPAC Name]
3-Acetyl-6-oxoheptanal [ACD/IUPAC Name]
3-Acétyl-6-oxoheptanal [French] [ACD/IUPAC Name]
Heptanal, 3-acetyl-6-oxo- [ACD/Index Name]
185197-81-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 306.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 128.4±21.7 °C
Index of Refraction: 1.433
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.66
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.66
Polar Surface Area: 51 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 169.0±3.0 cm3

Click to predict properties on the Chemicalize site






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