ChemSpider 2D Image | Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate | C22H18O8

Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC22H18O8
  • Average mass410.374 Da
  • Monoisotopic mass410.100159 Da
  • ChemSpider ID35331580

More details:

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

1,3-Benzodioxole-5-propanoic acid, β-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-7-methoxy-, methyl ester [ACD/Index Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-3-(7-méthoxy-1,3-benzodioxol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 210.0±23.6 °C
Index of Refraction: 1.642
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 28.02
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 282.8±3.0 cm3

Click to predict properties on the Chemicalize site


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