| CAS Number | 1458593-78-6 |
| Catalog Number | AG01AOST(AGN-PC-0WBEW4) |
| Chemical Name | 1-methyl-4-nitro-1H-pyrazol-3-ol |
| IUPAC Name | 2-methyl-4-nitro-1H-pyrazol-5-one |
| InChI | InChI=1S/C4H5N3O3/c1-6-2-3(7(9)10)4(8)5-6/h2H,1H3,(H,5,8) |
| InChI Key | FERLTMWGMBPYCM-UHFFFAOYSA-N |
| MDL Number | MFCD28155602 |
| Molecular Formula | C4H5N3O3 |
| Molecular Weight | 143.1008 |
| SMILES | CN1N=C(O)C([N+]([O-])=O)=C1 |
| Synonyms | 1-methyl-4-nitro-1H-pyrazol-3-ol,
1458593-78-6,
STL415328,
ZINC95836826,
AKOS024398061,
MCULE-2348615961,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.102g/mol |
| Monoisotopic Mass | 143.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number