3-Methyl-1H-indazole-6-carboxylic acid supplier

Name
3-Methyl-1H-indazole-6-carboxylic acid
EINECS 604-604-1
CAS No. 201286-96-6
Article Data3
CAS DataBase
Density 1.422 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 439.112 °C at 760 mmHg
Molecular Weight 176.172
Flash Point 219.368 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-methyl-indazole-6-carboxylic acid;6-Carboxy-3-methyl-1H-indazole;Y5334;3-methyl-1H-indazole-6-carboxylic acid;
PSA 65.98000
LogP 1.56950

3-Methyl-1H-indazole-6-carboxylic acid 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

Product Name

3-Methyl-1H-indazole-6-carboxylic acid

3-Methyl-1H-indazole-6-carboxylic acid Specification

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