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CAS No.: | 80353-93-1 |
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Name: | 6-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.172 |
Synonyms: | 6-Methylimidazo[1,2-a]pyridine-2-carboxylicacid;imidazo[1,2-a]pyridine-2-carboxylic acid, 6-methyl-; |
Density: | 1.359 g/cm3 |
Solubility: | at 25 deg C (mg/L): 775.6 |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 54.60000 |
LogP: | 1.34090 |
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The 6-Methylimidazo[1,2-a]pyridine-2-carboxylic acid, with the CAS registry number 80353-93-1, is also called imidazo[1,2-a]pyridine-2-carboxylic acid, 6-methyl-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C9H8N2O2.
The characteristics of 6-Methylimidazo[1,2-a]pyridine-2-carboxylic acid are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å2; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 47.45 cm3; (13)Molar Volume: 129.59 cm3; (14)Polarizability: 18.811×10-24cm3; (15)Surface Tension: 53.174 dyne/cm; (16)Density: 1.359 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc2nc(cn2c1)C(=O)O
(2)InChI: InChI=1/C9H8N2O2/c1-6-2-3-8-10-7(9(12)13)5-11(8)4-6/h2-5H,1H3,(H,12,13)
(3)InChIKey: RFSQTKHVHYSKLX-UHFFFAOYAH