ChemSpider 2D Image | MFCD18783098 | C17H16O5

MFCD18783098

  • Molecular FormulaC17H16O5
  • Average mass300.306 Da
  • Monoisotopic mass300.099762 Da
  • ChemSpider ID28424396

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-5-Hydroxy-4',7-dimethoxyflavanone
(2S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5-Hydroxy-7-méthoxy-2-(4-méthoxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
29424-96-2 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-, (2S)- [ACD/Index Name]
MFCD18783098
Naringenin 4',7-dimethyl ether
Sakuranetin 4'-methyl ether
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 524.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 196.0±23.6 °C
Index of Refraction: 1.597
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.98
ACD/KOC (pH 5.5): 2120.14
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 158.99
ACD/KOC (pH 7.4): 1076.97
Polar Surface Area: 65 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 234.4±3.0 cm3

Click to predict properties on the Chemicalize site


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