| CAS Number | 924060-64-0 |
| Catalog Number | AG019K30 |
| Chemical Name | 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C14H12N2O4/c1-6-4-9(8(3)19-6)11-5-10(14(17)18)12-7(2)16-20-13(12)15-11/h4-5H,1-3H3,(H,17,18) |
| InChI Key | ZECCXTCEYRVPNM-UHFFFAOYSA-N |
| MDL Number | MFCD08444335 |
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.2561 |
| SMILES | CC1OC(C)=C(C2=NC3=C(C(=NO3)C)C(C(O)=O)=C2)C=1 |
| Synonyms | 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
6-(2,5-dimethyl-3-furyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid,
924060-64-0,
AC1Q2GSZ,
CTK6B4366,
ZINC8155959,
AKOS001276738,
MCULE-7279517011,
NE35760,
EN300-25333,
6-(2,5-dimethylfuran-3-yl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid,
CID9291151,
CID 9291151,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.26g/mol |
| Monoisotopic Mass | 272.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number