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1967-99-3

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Basic Information
CAS No.: 1967-99-3
Name: 3-methyl-4,5,6,7-tetrahydro-2H-indazole
Article Data: 9
Molecular Structure:
Molecular Structure of 1967-99-3 (3-methyl-4,5,6,7-tetrahydro-2H-indazole)
Formula: C8H12N2
Molecular Weight: 136.197
Synonyms: 3-Methyl-4,5,6,7-tetrahydroindazole;NSC 220468;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-Methyl-4,5,6,7-tetrahydro-1H-indazole;
Density: 1.097 g/cm3
Boiling Point: 300.2 °C at 760 mmHg
Flash Point: 140 °C
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Specification

The 1H-Indazole,4,5,6,7-tetrahydro-3-methyl-, with the CAS registry number 1967-99-3, has the systmatic name of 3-methyl-4,5,6,7-tetrahydro-2H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H12N2.

The physical properties of 1H-Indazole,4,5,6,7-tetrahydro-3-methyl- are as following: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 36.22; (6)ACD/BCF (pH 7.4): 43.72; (7)ACD/KOC (pH 5.5): 430.42; (8)ACD/KOC (pH 7.4): 519.64; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 124 cm3; (16)Polarizability: 16.01×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 51.86 kJ/mol; (21)Boiling Point: 300.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00203 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(c(n1)C)CCCC2
(2)InChI: InChI=1/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H2,1H3,(H,9,10)
(3)InChIKey: RXKGSALPZYDBQC-UHFFFAOYAY