| CAS Number | 1909324-88-4 |
| Catalog Number | AG01C2E7 |
| Chemical Name | 3-[(tert-butoxy)carbonyl]pyrazine-2-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C10H12N2O4/c1-10(2,3)16-9(15)7-6(8(13)14)11-4-5-12-7/h4-5H,1-3H3,(H,13,14) |
| InChI Key | BXEYZYHEFFQAGD-UHFFFAOYSA-N |
| MDL Number | MFCD29054962 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | CC(OC(C1=C(C(O)=O)N=CC=N1)=O)(C)C |
| Synonyms | 3-[(tert-butoxy)carbonyl]pyrazine-2-carboxylic acid,
1909324-88-4,
AKOS033859202,
ZINC299805185,
Z2301438481,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number