ChemSpider 2D Image | (3S,4R)-3-(4-~2~H_1_)Chromanol | C9H9DO2

(3S,4R)-3-(4-2H1)Chromanol

  • Molecular FormulaC9H9DO2
  • Average mass151.181 Da
  • Monoisotopic mass151.074356 Da
  • ChemSpider ID9979611
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3S,4R)-3-(4-2H1)Chromanol [ACD/IUPAC Name]
(3S,4R)-3-(4-2H1)Chromanol [German] [ACD/IUPAC Name]
(3S,4R)-3-(4-2H1)Chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-4-d-3-ol, 3,4-dihydro-, (3S,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 281.2±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 132.1±18.5 °C
Index of Refraction: 1.584
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 166.44
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.90
ACD/KOC (pH 7.4): 166.44
Polar Surface Area: 29 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 124.3±3.0 cm3

Click to predict properties on the Chemicalize site






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