| CAS Number | 35022-72-1 |
| Catalog Number | AG00C975(AGN-PC-0O96Y4) |
| Chemical Name | Diquat dipyridone |
| IUPAC Name | 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,12-tetraene-6,11-dione |
| InChI | InChI=1S/C12H10N2O2/c15-11-5-1-3-9-10-4-2-6-12(16)14(10)8-7-13(9)11/h1-6H,7-8H2 |
| InChI Key | KCTKVKNCYCXHMV-UHFFFAOYSA-N |
| MDL Number | MFCD30719733 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | O=C1C=CC=C2N1CCN3C(=O)C=CC=C23 |
| Synonyms | Diquat Dipyridone,
35022-72-1,
1,1'-Ethylene-2,2'-bipyridine-6,6'(1H,1'H)-dione,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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