| CAS Number | 1259478-79-9 |
| Catalog Number | AG00HIRC(AGN-PC-0WG45F) |
| Chemical Name | TERT-BUTYL 5-HYDROXYPYRAZINE-2-CARBOXYLATE |
| IUPAC Name | tert-butyl 6-oxo-1H-pyrazine-3-carboxylate |
| InChI | InChI=1S/C9H12N2O3/c1-9(2,3)14-8(13)6-4-11-7(12)5-10-6/h4-5H,1-3H3,(H,11,12) |
| InChI Key | QKLXHPLCQKZQCE-UHFFFAOYSA-N |
| MDL Number | MFCD18070855 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CC(C)(C)OC(=O)C1=CNC(=O)C=N1 |
| Synonyms | tert-Butyl 5-hydroxypyrazine-2-carboxylate,
1259478-79-9,
MFCD18070855,
ZINC83141733,
AKOS017517884,
tert butyl 5-hydroxypyrazine-2-carboxylate,
CS-0037108,
tert-Butyl 6-oxo-1H-pyrazine-3-carboxylate,
tert-butyl 5-oxo-4,5-dihydropyrazine-2-carboxylate,
N/A,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number