| CAS Number | 476310-60-8 |
| Catalog Number | AG00DB7R(AGN-PC-0RVDOE) |
| Chemical Name | (OC-6-45) Aqua (3-hydroxy-2-pyridinecarboxylato-kapaN1,kapaO2)[3-(hydroxy-kapaO)-2-pyridinecarboxylato(2-)-kapaO2]oxo-vanadate(1-), hydrogen, trihydrate |
| IUPAC Name | hydrido(oxo)vanadium;3-hydroxypyridine-2-carboxylic acid;trihydrate |
| InChI | InChI=1S/2C6H5NO3.3H2O.O.V.H/c2*8-4-2-1-3-7-5(4)6(9)10;;;;;;/h2*1-3,8H,(H,9,10);3*1H2;;; |
| InChI Key | ABBPDBIZYMMUMS-UHFFFAOYSA-N |
| MDL Number | MFCD11045907 |
| Molecular Formula | C12H15N2O11V |
| Molecular Weight | 415.2037 |
| SMILES | O=C1[O-][V+2]2([O-]C(C3=[N]2C=CC=C3O)=O)([O-]C4=CC=CN=C14)([OH2])=O.[H+].O.O.O |
| Synonyms | VO-Ohpic trihydrate,
476310-60-8,
VO-Ohpic (trihydrate),
(OC-6-45) Aqua (3-hydroxy-2-pyridinecarboxylato-kapaN1,kapaO2)[3-(hydroxy-kapaO)-2-pyridinecarboxylato(2-)-kapaO2]oxo-vanadate(1-), hydrogen, trihydrate,
C12H8N2O7V.3H2O,
4153AH,
W-5465,
Aqua [3- -2-pyridinecarboxylato -kapaO2]oxo-vanadate ,hydrogen,trihydrate,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.214g/mol |
| Monoisotopic Mass | 400.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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