ChemSpider 2D Image | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] | C19H12O6

BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]

  • Molecular FormulaC19H12O6
  • Average mass336.295 Da
  • Monoisotopic mass336.063385 Da
  • ChemSpider ID16743957

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,3'S)-3,3'-Methylenbis(2H-chromen-2,4(3H)-dion) [German] [ACD/IUPAC Name]
(3R,3'S)-3,3'-Methylenebis(2H-chromene-2,4(3H)-dione) [ACD/IUPAC Name]
(3R,3'S)-3,3'-Méthylènebis(2H-chromène-2,4(3H)-dione) [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2,4(3H)-dione, 3,3'-methylenebis-, (3R,3'S)- [ACD/Index Name]
BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
(3R)-3-{[(3S)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl]methyl}-3,4-dihydro-2H-1-benzopyran-2,4-dione
(3R)-3-{[(3S)-2,4-dioxo-3H-1-benzopyran-3-yl]methyl}-3H-1-benzopyran-2,4-dione
DTC

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 244.5±30.2 °C
Index of Refraction: 1.629
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.61
ACD/KOC (pH 5.5): 260.10
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.77
ACD/KOC (pH 7.4): 246.84
Polar Surface Area: 87 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


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