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| CAS No.: | 17745-04-9 |
|---|---|
| Name: | IMIDAZO[1,2-A]PYRIDIN-3-YL-ACETIC ACID |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.175 |
| Synonyms: | 3-Carboxymethyl-imidazo<1.2-a>pyridin;(imidazo[1,2-a]pyridine-3-yl)acetic acid;(3-Imidazo(1,2-a)pyridine)acetic acid;(imidazo[1,2-a]pyridine-3-yl)ethanoic acid;imidazo<1,2-a>pyridin-3-acetic acid;Imidazo(1,2-a)pyridine-3-acetic acid;2-(imidazo[1,2-a]pyridin-2-yl)ethanoic acid;imidazo[1,2-a]pyridin-3-ylacetic acid;2-(imidazo[1,2-a]pyridin-3-yl)acetic acid; |
| Density: | 1.35 g/cm3 |
| Melting Point: | 255-256 °C(Solv: ethanol (64-17-5)) |
| Hazard Symbols: |
 Xi
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| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 54.60000 |
| LogP: | 0.96140 |
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Specification
This chemical is called Imidazo[1,2-a]pyridine-3-aceticacid, and its systematic name is Imidazo[1,2-a]pyridin-3-ylacetic acid. With the molecular formula of C9H8N2O2, its molecular weight is 176.17. The CAS registry number of the chemical is 17745-04-9. Additionally, its product category is API.
Other characteristics of Imidazo[1,2-a]pyridine-3-aceticacid can be summarised as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -2.01; (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: 2; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 47.63 cm3; (15)Molar Volume: 130.4 cm3; (16)Polarizability: 18.88×10-24cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.35 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1cnc2ccccn12
2.InChI: InChI=1/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
3.InChIKey: ZVBVKRNOISRONE-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
5.Std. InChIKey: ZVBVKRNOISRONE-UHFFFAOYSA-N