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6-Methylimidazo[1,2-a]pyridine-2-carboxylic acid

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Name

6-Methylimidazo[1,2-a]pyridine-2-carboxylic acid

EINECS N/A
CAS No. 80353-93-1 Density 1.359 g/cm3
PSA 54.60000 LogP 1.34090
Solubility at 25 deg C (mg/L): 775.6 Melting Point N/A
Formula C9H8N2O2 Boiling Point N/A
Molecular Weight 176.172 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 80353-93-1 (6-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID) Hazard Symbols Xi
Synonyms

6-Methylimidazo[1,2-a]pyridine-2-carboxylicacid;imidazo[1,2-a]pyridine-2-carboxylic acid, 6-methyl-;

 

6-Methylimidazo[1,2-a]pyridine-2-carboxylic acid Specification

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

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