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5265-38-3

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Basic Information
CAS No.: 5265-38-3
Name: 8-methylcinnoline
Molecular Structure:
Molecular Structure of 5265-38-3 (8-methylcinnoline)
Formula: C9H8N2
Molecular Weight: 144.176
Synonyms: 8-Methylcinnoline;
Density: 1.141 g/cm3
Boiling Point: 161.2 °C at 760 mmHg
Flash Point: 45.7 °C
PSA: 25.78000
LogP: 1.93820
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Specification

The IUPAC name of 8-Methylcinnoline is 8-Methylcinnoline. With the CAS registry number 5265-38-3, it is also named as Cinnoline, 8-methyl-. The product's category is cinnoline derivertives. In addition, its molecular formula is C9H8N2 and its molecular weight is 144.17. 

The other characteristics of 8-Methylcinnoline can be summarized as: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.66; (6)ACD/BCF (pH 7.4): 6.71; (7)ACD/KOC (pH 5.5): 134.89; (8)ACD/KOC (pH 7.4): 135.88; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.1 cm3; (15)Molar Volume: 126.2 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 45.7 °C; (20)Enthalpy of Vaporization: 38.14 kJ/mol; (21)Boiling Point: 161.2 °C at 760 mmHg; (22)Vapour Pressure: 2.99 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=CC=CC2=C1N=NC=C2
(2)InChI: InChI=1S/C9H8N2/c1-7-3-2-4-8-5-6-10-11-9(7)8/h2-6H,1H3
(3)InChIKey: XOJILQMBVZLODF-UHFFFAOYSA-N