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3(2H)-Isoquinolinone,1-methyl- (16535-89-0)

Identification
Name:3(2H)-Isoquinolinone,1-methyl-
Synonyms:3(2H)-Isoquinolone,1-methyl- (8CI);1-Methyl-3-isoquinolinone;1-Methylisoquinolin-3-ol;
CAS:16535-89-0
Molecular Formula: C10H9NO
Molecular Weight: 0
Molecular Structure: (C10H9NO) 3(2H)-Isoquinolone,1-methyl- (8CI);1-Methyl-3-isoquinolinone;1-Methylisoquinolin-3-ol;
Properties
Density:1.18 g/cm3
Specification:

The 1-Methylisoquinolin-3-ol, with CAS registry number 16535-89-0, belongs to the following product category: API intermediates. It has the systematic name of 1-methylisoquinolin-3(2H)-one. Besides this, it is also called 3(2H)-isoquinolinone, 1-methyl-. And the chemical formula of this chemical is C10H9NO.

Physical properties of 1-Methylisoquinolin-3-ol: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.83; (6)ACD/BCF (pH 7.4): 1.83; (7)ACD/KOC (pH 5.5): 53.61; (8)ACD/KOC (pH 7.4): 53.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 46.98 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Enthalpy of Vaporization: 77.73 kJ/mol; (19)Vapour Pressure: 2.07E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C2/C=C\C=C/C2=C(/N1)C
(2)InChI: InChI=1/C10H9NO/c1-7-9-5-3-2-4-8(9)6-10(12)11-7/h2-6H,1H3,(H,11,12)
(3)InChIKey: WZERFHYFSWMIRV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H9NO/c1-7-9-5-3-2-4-8(9)6-10(12)11-7/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: WZERFHYFSWMIRV-UHFFFAOYSA-N

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