CAS No.17104-27-7,5-METHYL-7,8-DIHYDRO[1,3]DIOXOLO[4,5-G]ISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17104-27-7
Name:	5-METHYL-7,8-DIHYDRO[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
Article Data:	13

Formula:	C₁₁H₁₁NO₂
Molecular Weight:	189.21
Synonyms:	5-Methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline;5-Methyl-7,8-dihydro-2H-1,3-dioxoleno[4,5-g]isoquinoline;
Density:	1.34 g/cm³
Boiling Point:	303.4 °C at 760 mmHg
Flash Point:	112.8 °C
PSA:	30.82000
LogP:	1.21600

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Specification

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