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256935-76-9

Basic Information
CAS No.: 256935-76-9
Name: Imidazo[1,5-a]pyridine-6-carboxylic acid (9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 256935-76-9 (Imidazo[1,5-a]pyridine-6-carboxylic acid (9CI))
Formula: C8H6N2O2
Molecular Weight: 162.15
Synonyms: Imidazo[1,5-a]pyridine-6-carboxylic acid (9CI);H-imidazo[1,5-a]pyridine-6-carboxylic acid;IMIDAZO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID
Density: 1.418 g/cm3
PSA: 54.60000
LogP: 1.03250
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Specification

This chemical is called Imidazo[1,5-a]pyridine-6-carboxylic acid, and its CAS registry number is 256935-76-9. With the molecular formula of C8H6N2O2, its molecular weight is 162.15. Additionally, its product category is Aminetertiary.

Other characteristics of the Imidazo[1,5-a]pyridine-6-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.14; (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)Polarizability: 17.057×10-24cm3; (15)Surface Tension: 60.522 dyne/cm; (16)Density: 1.418 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1ccc2cncn2c1
2.InChI: InChI=1/C8H6N2O2/c11-8(12)6-1-2-7-3-9-5-10(7)4-6/h1-5H,(H,11,12)
3.InChIKey: JUDANXSOGJLMJU-UHFFFAOYAE