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Search term: DATA_SOURCE in ('PENN-ABS')
ChemSpider 2D Image | (3R)-3-Hydroxy-1-[(1R,6Z)-3-oxo-3,4,5,8-tetrahydro-1H-2-benzoxecin-1-yl]-1,5-hexanedione | C19H22O5

(3R)-3-Hydroxy-1-[(1R,6Z)-3-oxo-3,4,5,8-tetrahydro-1H-2-benzoxecin-1-yl]-1,5-hexanedione

  • Molecular FormulaC19H22O5
  • Average mass330.375 Da
  • Monoisotopic mass330.146729 Da
  • ChemSpider ID21447261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-Hydroxy-1-[(1R,6Z)-3-oxo-3,4,5,8-tetrahydro-1H-2-benzoxecin-1-yl]-1,5-hexandion [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-1-[(1R,6Z)-3-oxo-3,4,5,8-tetrahydro-1H-2-benzoxecin-1-yl]-1,5-hexanedione [ACD/IUPAC Name]
(3R)-3-Hydroxy-1-[(1R,6Z)-3-oxo-3,4,5,8-tétrahydro-1H-2-benzoxécin-1-yl]-1,5-hexanedione [French] [ACD/IUPAC Name]
1,5-Hexanedione, 3-hydroxy-1-[(1R,6Z)-3,4,5,8-tetrahydro-3-oxo-1H-2-benzoxecin-1-yl]-, (3R)- [ACD/Index Name]
UPENNABS028
WSK_013

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 214.3±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.01
ACD/KOC (pH 5.5): 253.39
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 253.39
Polar Surface Area: 81 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 280.3±3.0 cm3

Click to predict properties on the Chemicalize site


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