| CAS Number | 953739-35-0 |
| Catalog Number | AG019XTY |
| Chemical Name | 6-Methyl-3-propylpyrido[3,2-d][1,2]oxazole-4-carboxylic acid |
| IUPAC Name | 6-methyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c1-3-4-8-9-7(11(14)15)5-6(2)12-10(9)16-13-8/h5H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | UPLQNWLOZPYPCN-UHFFFAOYSA-N |
| MDL Number | MFCD09730395 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CCCC1C2=C(N=C(C=C2C(O)=O)C)ON=1 |
| Synonyms | 6-methyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
953739-35-0,
6-methyl-3-propylpyrido[3,2-d][1,2]oxazole-4-carboxylic acid,
AC1Q2V4E,
SCHEMBL17267978,
CTK6D5109,
ZINC22169691,
AKOS000141593,
MCULE-8386340959,
NE58217,
EN300-56038,
Z234896335,
6-methyl-3-propylisoxazolo[5,4-b]pyridine-4-carboxylic acid,
|
| Complexity | 272 |
| 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 | 3 |
| 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