| CAS Number | 1305324-92-8 |
| Catalog Number | AG00HS32(AGN-PC-0WC8VF) |
| Chemical Name | 2-(tert-Butyl)oxazolo[4,5-c]pyridine-7-carboxylic acid |
| IUPAC Name | 2-tert-butyl-[1,3]oxazolo[4,5-c]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c1-11(2,3)10-13-7-5-12-4-6(9(14)15)8(7)16-10/h4-5H,1-3H3,(H,14,15) |
| InChI Key | JMBRSGBJKORISN-UHFFFAOYSA-N |
| MDL Number | MFCD20487065 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | OC(=O)c1cncc2c1oc(n2)C(C)(C)C |
| Synonyms | 2-(tert-Butyl)oxazolo[4,5-c]pyridine-7-carboxylic acid,
1305324-92-8,
MFCD20487065,
ZINC66054430,
AKOS026672702,
2-tert-butyl-[1,3]oxazolo[4,5-c]pyridine-7-carboxylic acid,
2-(tert-Butyl)oxazolo[4,5-c]pyridine-7-carboxylic acid, AldrichCPR,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number