ChemSpider 2D Image | 3-[(1R)-1,2-Dihydroxyethyl]benzaldehyde | C9H10O3

3-[(1R)-1,2-Dihydroxyethyl]benzaldehyde

  • Molecular FormulaC9H10O3
  • Average mass166.174 Da
  • Monoisotopic mass166.062988 Da
  • ChemSpider ID78441297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1R)-1,2-Dihydroxyethyl]benzaldehyd [German] [ACD/IUPAC Name]
3-[(1R)-1,2-Dihydroxyethyl]benzaldehyde [ACD/IUPAC Name]
3-[(1R)-1,2-Dihydroxyéthyl]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[(1R)-1,2-dihydroxyethyl]- [ACD/Index Name]
(1R)-(3-formylphenyl)-1,2-ethanediol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 190.2±21.6 °C
Index of Refraction: 1.621
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.19
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 58 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 129.7±3.0 cm3

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