Found 1 result

Search term: WHNNBJYDRWHPPH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 3,4,5-trimethoxybenzoate | C23H27NO8

2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC23H27NO8
  • Average mass445.462 Da
  • Monoisotopic mass445.173676 Da
  • ChemSpider ID22574287

More details:

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

2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 2-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.55
ACD/KOC (pH 5.5): 492.74
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.55
ACD/KOC (pH 7.4): 492.74
Polar Surface Area: 93 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

Click to predict properties on the Chemicalize site


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