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CAS No.: | 588720-29-0 |
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Name: | Imidazo[1,5-a]pyridine-7-carboxylic acid (9CI) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H6N2O2 |
Molecular Weight: | 162.14544 |
Synonyms: | Imidazo[1,5-a]pyridine-7-carboxylic acid; |
Density: | 1.418 g/cm3 |
PSA: | 54.60000 |
LogP: | 1.03250 |
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The Imidazo[1, 5-a]pyridine-7-carboxylicacid, with the CAS registry number of 588720-29-0, is also known as Imidazo[1, 5-a]pyridine-7-carboxylic acid (9CI). It belongs to the product category of Aminetertiary. This chemical's molecular formula is C8H6N2O2 and molecular weight is 162.14544. What's more, its systematic name is called Imidazo[1, 5-a]pyridine-7-carboxylic acid.
Physical properties about Imidazo[1, 5-a]pyridine-7-carboxylicacid are: (1)ACD/LogP: 0.56; (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: 1.676; (12)Molar Refractivity: 43.026 cm3; (13)Molar Volume: 114.315 cm3; (14)Surface Tension: 60.522 dyne/cm; (15)Density: 1.418 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccn2cncc2c1
(2) InChI: InChI=1/C8H6N2O2/c11-8(12)6-1-2-10-5-9-4-7(10)3-6/h1-5H,(H,11,12)
(3) InChIKey: GMBMIWBXIHLWDP-UHFFFAOYAO