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63446-38-8

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Basic Information
CAS No.: 63446-38-8
Name: 3-methyl-6,7-dihydro-1H-indazol-4(5H)-one
Article Data: 8
Molecular Structure:
Molecular Structure of 63446-38-8 (3-methyl-6,7-dihydro-1H-indazol-4(5H)-one)
Formula: C8H10N2O
Molecular Weight: 150.1778
Synonyms: 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3-methyl-;
Density: 1.245 g/cm3
Boiling Point: 369 °C at 760 mmHg
Flash Point: 180.5 °C
PSA: 45.75000
LogP: 1.23710
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Specification

The 3-Methyl-1,5,6,7-tetrahydroindazol-4-one, with the CAS registry number 63446-38-8, is also known as 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3-methyl-. This chemical's molecular formula is C8H10N2O and molecular weight is 150.1778. What's more, its systematic name is called 3-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one.

Physical properties about 3-Methyl-1,5,6,7-tetrahydroindazol-4-one are: (1)ACD/LogP: 1.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 4.57; (7)ACD/KOC (pH 5.5): 103.34; (8)ACD/KOC (pH 7.4): 103.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 16.06×10-24 cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 180.5 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 369 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c(nnc1C)CCC2
(2) InChI: InChI=1/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
(3) InChIKey: VROXGINCMQLXRS-UHFFFAOYAU