| CAS Number | 1374986-04-5 |
| Catalog Number | AG00HV1D(AGN-PC-0WNWF7) |
| Chemical Name | METHYL 5-HYDROXYISOXAZOLO[4,5-B]PYRAZINE-3-CARBOXYLATE |
| IUPAC Name | methyl 5-oxo-4H-[1,2]oxazolo[4,5-b]pyrazine-3-carboxylate |
| InChI | InChI=1S/C7H5N3O4/c1-13-7(12)5-4-6(14-10-5)8-2-3(11)9-4/h2H,1H3,(H,9,11) |
| InChI Key | VDWPCNFSVRJHEJ-UHFFFAOYSA-N |
| MDL Number | MFCD29035103 |
| Molecular Formula | C7H5N3O4 |
| Molecular Weight | 195.1323 |
| SMILES | OC1=CN=C2C(=N1)C(=NO2)C(=O)OC |
| Synonyms | Methyl 5-hydroxyisoxazolo[4,5-b]pyrazine-3-carboxylate,
1374986-04-5,
SCHEMBL15256521,
MFCD29035103,
methyl 5-oxo-4H-[1,2]oxazolo[4,5-b]pyrazine-3-carboxylate,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.134g/mol |
| Monoisotopic Mass | 195.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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