8-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID structure

3D Mol Similar

8-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID

Iupac Name：8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

CAS No.: 88751-05-7

Molecular Weight：176.175

Modify Date.: 2022-11-25 05:44

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1. Names and Identifiers

1.1 Name: 8-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID
1.2 Synonyms: 8-methyl-2-imidazo[1,2-a]pyridinecarboxylate 8-Methylimidazo[1,2-a]pyridine-2-carboxylic acid 8-methylimidazo[1,2-a]pyridine-2-carboxylic acid HCl 0.8H2O 8-methylimidazo[1,2-a]pyridine-2-carboxylic acid(SALTDATA: HCl 0.8H2O) 8-methylimidazo[1,2-a]pyridine-2-carboxylicacid ASINEX-REAG BAS 10157416 IMidazo[1,2-a]pyridine-2-carboxylic acid, 8-Methyl-

1.3 CAS No.: 88751-05-7

1.4 CID: 2759860

1.5 Molecular Formula: C9H8N2O2 (isomer)

1.6 Inchi: InChI=1S/C9H8N2O2/c1-6-3-2-4-11-5-7(9(12)13)10-8(6)11/h2-5H,1H3,(H,12,13)

1.7 InChkey: GZSGOOWNEOBWCG-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=CC=CN2C1=NC(=C2)C(=O)O

1.9 Isomers Smiles: CC1=CC=CN2C1=NC(=C2)C(=O)O

2. Properties

2.1 Density: 1.35

2.1 Melting point: 237-239℃

2.1 Refractive index: 1.653

2.1 Precise Quality: 176.05900

2.1 PSA: 54.60000

2.1 logP: 1.34090

2.1 Appearance: Not Available

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Hazard Class: IRRITANT

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Computational chemical data

Molecular Weight: 176.175g/mol
Molecular Formula: C₉H₈N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: 2
Exact Mass: 176.058577502
Monoisotopic Mass: 176.058577502
Complexity: 220
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 54.6
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHgAACAAADAjBnwQ/uJ8MGgCoAzb3bASCgC03EqAJ2CG4fNiKbOrAmbGUYIhqgALY2OYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Recommended Suppliers

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Dayang Chem (Hangzhou) Co., Ltd. Diamond member

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8-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/04/23

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8-methylH-imidazo[1,2-a]pyridin-2-carboxylic acid