| CAS Number | 1354954-55-4 |
| Catalog Number | AG019SKF |
| Chemical Name | 3-(2,2-dimethylpropanamido)pyrazine-2-carboxylic acid |
| IUPAC Name | 3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C10H13N3O3/c1-10(2,3)9(16)13-7-6(8(14)15)11-4-5-12-7/h4-5H,1-3H3,(H,14,15)(H,12,13,16) |
| InChI Key | WSUOGFUQNXALMM-UHFFFAOYSA-N |
| MDL Number | MFCD18304374 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CC(C(NC1=C(C(O)=O)N=CC=N1)=O)(C)C |
| Synonyms | 3-(2,2-dimethylpropanamido)pyrazine-2-carboxylic acid,
1354954-55-4,
ZINC63215423,
AKOS008154103,
MCULE-6664820939,
NE43662,
EN300-93962,
Z1269638580,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number