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CAS No.: | 34252-44-3 |
---|---|
Name: | 2-METHYL-2H-INDAZOLE-3-CARBOXYLIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | 2-Methylindazole-3-carboxylic acid;2-Methyl-2H-indazole-3-carboxylicacid; |
EINECS: | 691-338-3 |
Density: | 1.35 g/cm3 |
Melting Point: | 217-219 °C |
Boiling Point: | 417.4 °C at 760 mmHg |
Flash Point: | 206.2 °C |
Appearance: | white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36-36/37/38-20/21/22 |
Safety: | 26-36/37/39-22 |
PSA: | 55.12000 |
LogP: | 1.27150 |
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The 2H-Indazole-3-carboxylicacid, 2-methyl-, with the CAS registry number of 34252-44-3, is also known as 2-Methylindazole-3-carboxylic acid. It belongs to the product categories of Chemical Amines; Amines; Aromatics; Heterocycles. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. What's more, its systematic name is called 2-Methyl-2H-indazole-3-carboxylic acid.
Physical properties about 2H-Indazole-3-carboxylicacid, 2-methyl- are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 47.44 cm3; (15)Molar Volume: 129.5 cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 206.2 °C; (19)Enthalpy of Vaporization: 70.72 kJ/mol; (20)Boiling Point: 417.4 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c2ccccc2nn1C
(2) InChI: InChI=1/C9H8N2O2/c1-11-8(9(12)13)6-4-2-3-5-7(6)10-11/h2-5H,1H3,(H,12,13)
(3) InChIKey: ABRISPFTOZIXMP-UHFFFAOYAV