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| CAS No.: | 201286-96-6 |
|---|---|
| Name: | 3-Methyl-1H-indazole-6-carboxylic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.172 |
| Synonyms: | 3-methyl-indazole-6-carboxylic acid;6-Carboxy-3-methyl-1H-indazole;Y5334;3-methyl-1H-indazole-6-carboxylic acid; |
| EINECS: | 604-604-1 |
| Density: | 1.422 g/cm3 |
| Boiling Point: | 439.112 °C at 760 mmHg |
| Flash Point: | 219.368 °C |
| PSA: | 65.98000 |
| LogP: | 1.56950 |
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Specification
This chemical's CAS registry number is 201286-96-6. Its molecular formula is C9H8N2O2 and molecular weight is 176.172. What's more, both the product name and systematic name are the same which is called 3-Methyl-1H-indazole-6-carboxylic acid.
Physical properties about 3-Methyl-1H-indazole-6-carboxylic acid are: (1)ACD/LogP: 1.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.98 Å2; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 48.375 cm3; (14)Molar Volume: 123.9 cm3; (15)Polarizability: 19.177×10-24 cm3; (16)Surface Tension: 75.011 dyne/cm; (17)Density: 1.422 g/cm3; (18)Flash Point: 219.368 °C; (19)Enthalpy of Vaporization: 73.359 kJ/mol; (20)Boiling Point: 439.112 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc2c(c1)nnc2C
(2) InChI: InChI=1/C9H8N2O2/c1-5-7-3-2-6(9(12)13)4-8(7)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13)
(3) InChIKey: HJVKVWJWZDGWCG-UHFFFAOYAS