ChemSpider 2D Image | Dimethyl 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate | C27H25NO10

Dimethyl 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID293875

More details:

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

[1,3]Dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid, 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro-, dimethyl ester [ACD/Index Name]
3-[2,3-Diméthoxy-6-(méthoxycarbonyl)phényl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoléine-1,2-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate [ACD/IUPAC Name]
Dimethyl-3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isochinolin-1,2-dicarboxylat [German] [ACD/IUPAC Name]
81548-58-5 [RN]

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

NSC326129 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 924.59
ACD/KOC (pH 5.5): 4619.82
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 924.59
ACD/KOC (pH 7.4): 4619.82
Polar Surface Area: 121 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 367.7±7.0 cm3

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