| CAS Number | 1936377-42-2 |
| Catalog Number | AG01B1CK |
| Chemical Name | 4,6-Dihydroxypyrimidine-5-carbonitrile |
| IUPAC Name | 4-hydroxy-6-oxo-1H-pyrimidine-5-carbonitrile |
| InChI | InChI=1S/C5H3N3O2/c6-1-3-4(9)7-2-8-5(3)10/h2H,(H2,7,8,9,10) |
| InChI Key | ZTTZQYHGZCMWPG-UHFFFAOYSA-N |
| MDL Number | MFCD31617110 |
| Molecular Formula | C5H3N3O2 |
| Molecular Weight | 137.0962 |
| SMILES | OC1=C(C#N)C(O)=NC=N1 |
| Synonyms | 4,6-dihydroxypyrimidine-5-carbonitrile,
1936377-42-2,
AKOS034139624,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.098g/mol |
| Monoisotopic Mass | 137.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 85.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number