| CAS Number | 1096855-21-8 |
| Catalog Number | AG01B8SJ |
| Chemical Name | 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H14N2O3/c1-3-5-9-10-8(12(15)16)6-7(4-2)13-11(10)17-14-9/h6H,3-5H2,1-2H3,(H,15,16) |
| InChI Key | QSZIWYBYPFIIEO-UHFFFAOYSA-N |
| MDL Number | MFCD12410198 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | CCCC1C2=C(N=C(C=C2C(O)=O)CC)ON=1 |
| Synonyms | 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
1096855-21-8,
SCHEMBL17267950,
ZINC37288877,
AKOS005831754,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number