ChemSpider 2D Image | 4-Hydroxy-3-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-chromen-2-one | C19H16O3

4-Hydroxy-3-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-chromen-2-one

  • Molecular FormulaC19H16O3
  • Average mass292.328 Da
  • Monoisotopic mass292.109955 Da
  • ChemSpider ID34992649

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]- [ACD/Index Name]
4-Hydroxy-3-[(1S)-1,2,3,4-tétrahydro-1-naphtalényl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-Hydroxy-3-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1S)-1,2,3,4-tetrahydro-1-naphthalinyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
227-424-0 [EINECS]
5836-29-3 [RN]
coumatetralyl [BSI] [ISO] [Wiki]
UNII-NWK4HW86A8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 214.3±22.9 °C
Index of Refraction: 1.673
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 114.71
ACD/KOC (pH 5.5): 525.16
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 9.06
Polar Surface Area: 47 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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