ChemSpider 2D Image | MFCD10569422 | C7H12O4

MFCD10569422

  • Molecular FormulaC7H12O4
  • Average mass160.168 Da
  • Monoisotopic mass160.073563 Da
  • ChemSpider ID22899799
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R,5S)-5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-carbaldehyd [German] [ACD/IUPAC Name]
(4R,5S)-5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde [ACD/IUPAC Name]
(4R,5S)-5-(Hydroxyméthyl)-2,2-diméthyl-1,3-dioxolane-4-carbaldéhyde [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-carboxaldehyde, 5-(hydroxymethyl)-2,2-dimethyl-, (4R,5S)- [ACD/Index Name]
MFCD10569422
97718-39-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 249.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.5±6.0 kJ/mol
Flash Point: 99.2±16.7 °C
Index of Refraction: 1.495
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.32
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.32
Polar Surface Area: 56 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 134.4±3.0 cm3

Click to predict properties on the Chemicalize site






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