| CAS Number | 924191-70-8 |
| Catalog Number | AG019KB6 |
| Chemical Name | 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C13H10N2O3S/c1-6-3-4-10(19-6)9-5-8(13(16)17)11-7(2)15-18-12(11)14-9/h3-5H,1-2H3,(H,16,17) |
| InChI Key | PAVYUFBDOSJQBP-UHFFFAOYSA-N |
| MDL Number | MFCD08691261 |
| Molecular Formula | C13H10N2O3S |
| Molecular Weight | 274.2951 |
| SMILES | CC1SC(C2=NC3=C(C(=NO3)C)C(C(O)=O)=C2)=CC=1 |
| Synonyms | 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
924191-70-8,
EN300-26255,
3-methyl-6-(5-methylthien-2-yl)isoxazolo[5,4-b]pyridine-4-carboxylic acid,
AC1Q2N07,
CTK6C0082,
ZINC9953653,
NE62432,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.294g/mol |
| Monoisotopic Mass | 274.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number