ChemSpider 2D Image | (3R)-3-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid | C18H18N2O4

(3R)-3-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid

  • Molecular FormulaC18H18N2O4
  • Average mass326.346 Da
  • Monoisotopic mass326.126648 Da
  • ChemSpider ID25059076

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]chinolin-2-yl)hexansäure [German] [ACD/IUPAC Name]
(3R)-3-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid [ACD/IUPAC Name]
2H-Pyrrolo[3,4-c]quinoline-2-propanoic acid, 1,3-dihydro-4-methyl-1,3-dioxo-β-propyl-, (βR)- [ACD/Index Name]
Acide (3R)-3-(4-méthyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinoléin-2-yl)hexanoïque [French] [ACD/IUPAC Name]
QQ3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 282.9±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 17.89
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 242.5±3.0 cm3

Click to predict properties on the Chemicalize site


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