The 1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-5-methyl-, with the CAS registry number 17104-27-7, is also known as 5-Methyl-7,8-dihydro-2H-1,3-dioxoleno[4,5-g]isoquinoline. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its IUPAC name is 5-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline.
Physical properties of 1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-5-methyl- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 30.82 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 51.23 cm3; (9)Molar Volume: 140.9 cm3; (10)Polarizability: 20.31×10-24cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 112.8 °C; (14)Enthalpy of Vaporization: 52.19 kJ/mol; (15)Boiling Point: 303.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00168 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NCCC2=CC3=C(C=C12)OCO3
(2)InChI: InChI=1S/C11H11NO2/c1-7-9-5-11-10(13-6-14-11)4-8(9)2-3-12-7/h4-5H,2-3,6H2,1H3
(3)InChIKey: YLUYJLOJLQVWPT-UHFFFAOYSA-N
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