| CAS Number | 344749-44-6 |
| Catalog Number | AG00D4XL(AGN-PC-0WAHRX) |
| Chemical Name | 6-Methyl-5-nitropyridine-2,4-diol |
| IUPAC Name | 4-hydroxy-6-methyl-5-nitro-1H-pyridin-2-one |
| InChI | InChI=1S/C6H6N2O4/c1-3-6(8(11)12)4(9)2-5(10)7-3/h2H,1H3,(H2,7,9,10) |
| InChI Key | CIUJVYFTEYYUBS-UHFFFAOYSA-N |
| MDL Number | MFCD18445904 |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.1228 |
| SMILES | OC1=NC(C)=C([N+]([O-])=O)C(O)=C1 |
| Synonyms | 6-Methyl-5-nitropyridine-2,4-diol,
344749-44-6,
4-Hydroxy-6-methyl-5-nitropyridin-2(1H)-one,
88499-61-0,
DTXSID70715972,
FCH907461,
ZINC39402288,
AKOS006373440,
NS-01379,
AJ-100190,
AX8248972,
Z2832012324,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.124g/mol |
| Monoisotopic Mass | 170.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number