| CAS Number | 171202-16-7 |
| Catalog Number | AG01E2QL(AGN-PC-0Q9V0Z) |
| Chemical Name | bpV(phen)(PotassiumHydrate) |
| IUPAC Name | potassium;oxovanadium;1,10-phenanthroline;diperoxide;trihydrate |
| InChI | InChI=1S/C12H8N2.K.2O2.3H2O.O.V/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*1-2;;;;;/h1-8H;;;;3*1H2;;/q;+1;2*-2;;;;; |
| InChI Key | JSKKVRTYBGPOAZ-UHFFFAOYSA-N |
| MDL Number | MFCD16038042 |
| Molecular Formula | C12H14KN2O8V |
| Molecular Weight | 404.2880 |
| SMILES | O=[V+3]12([N]3=CC=C4)([O-][O-]1)([O-][O-]2)[N]5=C6C3=C4C=CC6=CC=C5.O.O.O.[K+] |
| Synonyms | bpV(phen)(PotassiumHydrate),
171202-16-7,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 8 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.983g/mol |
| Formal Charge | -3 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.29g/mol |
| Monoisotopic Mass | 403.983g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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