| CAS Number | 929972-88-3 |
| Catalog Number | AG00IHFD(AGN-PC-0WOA3N) |
| Chemical Name | 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C8H6N2O3/c1-4-6-2-5(8(11)12)3-9-7(6)13-10-4/h2-3H,1H3,(H,11,12) |
| InChI Key | NLIRONWJOAZNMV-UHFFFAOYSA-N |
| MDL Number | MFCD09040738 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | CC1C2=C(N=CC(C(O)=O)=C2)ON=1 |
| Synonyms | 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid,
929972-88-3,
3-methylisoxazolo[5,4-b]pyridine-5-carboxylic acid,
AC1Q2QBE,
SCHEMBL12168245,
CTK6C5001,
MFCD09040738,
ZINC12505606,
AKOS000117973,
MCULE-9143924063,
NE23031,
BS-13804,
EN300-27676,
Z235344947,
3-methylisoxazolo[5,4-b]pyridine-5-carboxylic acid, AldrichCPR,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.147g/mol |
| Monoisotopic Mass | 178.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number