| CAS Number | 1249969-05-8 |
| Catalog Number | AG01A8ZF(AGN-PC-0WO6YR) |
| Chemical Name | 3,6-dimethyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid |
| IUPAC Name | 3,6-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid |
| InChI | InChI=1S/C8H7N3O4/c1-3-4-5(10-15-3)7(12)11(2)9-6(4)8(13)14/h1-2H3,(H,13,14) |
| InChI Key | UHFARKFCJJQCPF-UHFFFAOYSA-N |
| MDL Number | MFCD16817405 |
| Molecular Formula | C8H7N3O4 |
| Molecular Weight | 209.1589 |
| SMILES | CC1=C2C(C(N(N=C2C(O)=O)C)=O)=NO1 |
| Synonyms | 3,6-dimethyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid,
1249969-05-8,
AC1Q406G,
ZINC57217726,
AKOS011695258,
MCULE-1872299608,
NE57627,
EN300-63781,
Z1171978884,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.161g/mol |
| Monoisotopic Mass | 209.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number