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| CAS No.: | 80353-94-2 |
|---|---|
| Name: | 7-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.17 |
| Synonyms: | 7-Methylimidazo[1,2-a]pyridine-2-carboxylic acid;7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid; |
| Density: | 1.35 g/cm3 |
| Melting Point: | 245-247℃ |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 54.60000 |
| LogP: | 1.34090 |
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Specification
The CAS register number of Imidazo[1,2-a]pyridine-2-carboxylicacid, 7-methyl- is 80353-94-2. It also can be called as 7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid and the systematic name about this chemical is 7-methylimidazo[1,2-a]pyridine-2-carboxylic acid. The molecular formula about this chemical is C9H8N2O2 and molecular weight is 176.17. It belongs to the API intermediates.
Physical properties about Imidazo[1,2-a]pyridine-2-carboxylicacid, 7-methyl- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.6Å2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 47.44 cm3; (14)Molar Volume: 129.5 cm3; (15)Polarizability: 18.81x10-24cm3; (16)Surface Tension: 53.1 dyne/cm.
Preparation: this chemical can be prepared by 7-methyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester at heating. This reaction will need reagent 10percent HCl. The reaction time is 3 hour(s). The yield is about 52 %.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc2cc(ccn2c1)C
(2)InChI: InChI=1/C9H8N2O2/c1-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h2-5H,1H3,(H,12,13)
(3)InChIKey: GWOWWQVYWZHBRI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h2-5H,1H3,(H,12,13)
(5)Std. InChIKey: GWOWWQVYWZHBRI-UHFFFAOYSA-N