| CAS Number | 1245648-51-4 |
| Catalog Number | AG000MCG(AGN-PC-0WCS01) |
| Chemical Name | 3-Methoxy-6-nitropyridin-2-ol |
| IUPAC Name | 3-methoxy-6-nitro-1H-pyridin-2-one |
| InChI | InChI=1S/C6H6N2O4/c1-12-4-2-3-5(8(10)11)7-6(4)9/h2-3H,1H3,(H,7,9) |
| InChI Key | DTCBKUGKCBDPNG-UHFFFAOYSA-N |
| MDL Number | MFCD27936852 |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.1228 |
| SMILES | COc1ccc([nH]c1=O)[N+](=O)[O-] |
| Synonyms | 3-methoxy-6-nitropyridin-2-ol,
1245648-51-4,
3-Methoxy-6-nitropyridin-2(1H)-one,
DTXSID30744809,
ZINC91365508,
FCH3789877,
2(1H)-Pyridinone, 3-methoxy-6-nitro-,
AJ-131270,
AX8164943,
CS-0081666,
20928-63-6,
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| Complexity | 286 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.124g/mol |
| Monoisotopic Mass | 170.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number