| CAS Number | 953891-44-6 |
| Catalog Number | AG019XU7(AGN-PC-0WOQKQ) |
| Chemical Name | 6-methyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c1-5(2)9-8-7(11(14)15)4-6(3)12-10(8)16-13-9/h4-5H,1-3H3,(H,14,15) |
| InChI Key | QXEGEYHKNDAFAW-UHFFFAOYSA-N |
| MDL Number | MFCD09735552 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CC(C1C2=C(N=C(C=C2C(O)=O)C)ON=1)C |
| Synonyms | 6-methyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
953891-44-6,
6-methyl-3-(propan-2-yl)pyrido[3,2-d][1,2]oxazole-4-carboxylic acid,
AC1Q1OZJ,
SCHEMBL17267912,
CTK6C4351,
ZINC22213329,
AKOS000143066,
MCULE-4259608743,
NE18949,
EN300-56048,
Z680882012,
3-isopropyl-6-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 282 |
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number