ChemSpider 2D Image | 4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid | C20H16O7

4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid

  • Molecular FormulaC20H16O7
  • Average mass368.337 Da
  • Monoisotopic mass368.089600 Da
  • ChemSpider ID32512430

More details:






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

2H-1-Benzopyran-3-propanoic acid, β-(4-carboxyphenyl)-4-hydroxy-2-oxo-, α-methyl ester [ACD/Index Name]
4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoesäure [German] [ACD/IUPAC Name]
4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[1-(4-hydroxy-2-oxo-2H-chromén-3-yl)-3-méthoxy-3-oxopropyl]benzoïque [French] [ACD/IUPAC Name]
1630848-56-4 [RN]
4-(1-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl)benzoic acid
4-[1-(4-hydroxy-2-oxochromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid
C20H16O7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 225.4±25.0 °C
Index of Refraction: 1.652
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 254.6±3.0 cm3

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