CAS No.131002-10-3,6-methylisoquinolin-1(2H)-one Suppliers

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Molecular Structure:
CAS No.:	131002-10-3
Name:	6-methylisoquinolin-1(2H)-one
Article Data:	9

Formula:	C₁₀H₉NO
Molecular Weight:	159.188
Synonyms:	6-Methyl-2H-isoquinolin-1-one;
Density:	1.15g/cm³
Boiling Point:	393.92 °C at 760 mmHg
Flash Point:	231.173 °C
PSA:	33.12000
LogP:	2.24880

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Specification

The 1(2H)-Isoquinolinone,6-methyl-, with CAS registry number 131002-10-3, has the systematic name of 6-methylisoquinolin-1(2H)-one. Besides this, it is also called 6-methyl-2-hydroisoquinolin-1-one. Its molecular weight is 159.1846. And the chemical formula of this chemical is C₁₀H₉NO.

Physical properties of 1(2H)-Isoquinolinone,6-methyl-: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 176; (8)ACD/KOC (pH 7.4): 176; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 46.334 cm³; (15)Molar Volume: 138.362 cm³; (16)Polarizability: 18.368×10^-24cm³; (17)Surface Tension: 41.806 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 231.173 °C; (20)Enthalpy of Vaporization: 64.387 kJ/mol; (21)Boiling Point: 393.92 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc2ccc1c(\C=C/NC1=O)c2
(2)InChI: InChI=1/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
(3)InChIKey: AVBPTIYKXNVKNJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: AVBPTIYKXNVKNJ-UHFFFAOYSA-N