| CAS Number | 1378811-63-2 |
| Catalog Number | AG01ALZE |
| Chemical Name | 1-Methylimidazo[1,5-a]pyridine-7-carboxylic acid |
| IUPAC Name | 1-methylimidazo[1,5-a]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C9H8N2O2/c1-6-8-4-7(9(12)13)2-3-11(8)5-10-6/h2-5H,1H3,(H,12,13) |
| InChI Key | FWVXPXNXHKTHMP-UHFFFAOYSA-N |
| MDL Number | MFCD18074249 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | CC1=C2N(C=CC(C(O)=O)=C2)C=N1 |
| Synonyms | 1-methylimidazo[1,5-a]pyridine-7-carboxylic acid,
1378811-63-2,
ZINC84303786,
AKOS023410608,
Z2510259349,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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