| CAS Number | 1432679-19-0 |
| Catalog Number | AG01A546 |
| Chemical Name | 1-Cyclopropyl-1,2,3,4-tetrahydropyrazine-2,3-dione |
| IUPAC Name | 4-cyclopropyl-1H-pyrazine-2,3-dione |
| InChI | InChI=1S/C7H8N2O2/c10-6-7(11)9(4-3-8-6)5-1-2-5/h3-5H,1-2H2,(H,8,10) |
| InChI Key | VVFXYQTYJBYIAK-UHFFFAOYSA-N |
| MDL Number | MFCD24369233 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | O=C1C(=O)N(C2CC2)C=CN1 |
| Synonyms | 1-cyclopropyl-1,2,3,4-tetrahydropyrazine-2,3-dione,
1432679-19-0,
ZINC95221008,
NE55079,
1-cyclopropyl-3-hydroxy-1,2-dihydropyrazin-2-one,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number