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Name
IMIDAZO[1,2-A]PYRIDIN-3-YL-ACETIC ACID
- EINECS
- CAS No. 17745-04-9
- Article Data15
- CAS DataBase
- Density 1.35 g/cm3
- Solubility
- Melting Point 255-256 °C(Solv: ethanol (64-17-5))
- Formula C9H8N2O2
- Boiling Point
- Molecular Weight 176.175
- Flash Point
- Transport Information
- Appearance
- Safety
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Risk Codes
Xi:;
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Molecular Structure
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Hazard Symbols
Xi
- 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;
- PSA 54.60000
- LogP 0.96140
Imidazo[1,2-a]pyridin-3-ylacetic acid 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
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