ChemSpider 2D Image | 2-(3,4-Dihydroxy-2,4-cyclohexadien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one | C16H14O7

2-(3,4-Dihydroxy-2,4-cyclohexadien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID28536780

More details:

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

1556542-32-5 [RN]
2-(3,4-Dihydroxy-2,4-cyclohexadien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxy-2,4-cyclohexadien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxy-2,4-cyclohexadién-1-yl)-3,7-dihydroxy-5-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxycyclohexa-2,4-dien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-2,4-cyclohexadien-1-yl)-3,7-dihydroxy-5-methoxy- [ACD/Index Name]
2-(3,4-dihydroxycyclohexa-2,4-dien-1-yl)-3,7-dihydroxy-5-methoxychromen-4-one
529-51-1 [RN]
5-METHOXY-3,3',4',7-TETRAHYDROXYFLAVONE
MFCD23701576 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 242.1±25.0 °C
Index of Refraction: 1.762
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 38.83
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.26
Polar Surface Area: 116 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 101.1±3.0 dyne/cm
Molar Volume: 189.2±3.0 cm3

Click to predict properties on the Chemicalize site


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