CAS No.26829-47-0,7-methylisoquinolin-1(2H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26829-47-0
Name:	7-methylisoquinolin-1(2H)-one
Article Data:	12

Formula:	C₁₀H₉NO
Molecular Weight:	159.07
Synonyms:	7-Methylisoquinolin-1-ol;7-Methyl-2H-isoquinolin-1-one;7-Methyl-1-isoquinolinone;Isocarbostyril,7-methyl- (8CI);7-methylisoquinolin-1(2H)-one;
Density:	1.15 g/cm³
Melting Point:	197-199 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:	397.753 °C at 760 mmHg
Flash Point:	233.472 °C
PSA:	33.12000
LogP:	2.24880

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Specification

The CAS register number of 1(2H)-Isoquinolinone,7-methyl- is 26829-47-0. The systematic name about this chemical is 7-methylisoquinolin-1(2H)-one. The molecular formula about this chemical is C₁₀H₉NO and the molecular weight is 159.07.

Physical properties about 1(2H)-Isoquinolinone,7-methyl- are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 176; (7)ACD/KOC (pH 7.4): 176; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1 Å²; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 46.334 cm³; (13)Molar Volume: 138.362 cm³; (14)Polarizability: 18.368x10^-24cm³; (15)Surface Tension: 41.806 dyne/cm; (16)Density: 1.15 g/cm³; (17)Flash Point: 233.472 °C; (18)Enthalpy of Vaporization: 64.824 kJ/mol; (19)Boiling Point: 397.753 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2\C=C/NC(=O)c2c1
(2)Std. InChI: InChI=1S/C10H9NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-6H,1H3,(H,11,12)
(3)Std. InChIKey: ZLTCEYHTNOZGIS-UHFFFAOYSA-N