| CAS Number | 53821-72-0 |
| Catalog Number | AG00DJRX(AGN-PC-0SFZCB) |
| Chemical Name | Sodium nitromalonaldehyde monohydrate |
| IUPAC Name | sodium;2-nitro-3-oxoprop-1-en-1-olate;hydrate |
| InChI | InChI=1S/C3H3NO4.Na.H2O/c5-1-3(2-6)4(7)8;;/h1-2,5H;;1H2/q;+1;/p-1 |
| InChI Key | MCCIGIZBACKHDO-UHFFFAOYSA-M |
| MDL Number | MFCD28502699 |
| Molecular Formula | C3H4NNaO5 |
| Molecular Weight | 157.0573 |
| SMILES | O.[N+](=O)([O-])[C-](C=O)C=O.[Na+] |
| Synonyms | Sodium 2-nitro-1,3-dioxopropan-2-ide hydrate,
53821-72-0,
AK173064,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.057g/mol |
| Monoisotopic Mass | 156.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
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Certificate of Analysis
Lot Number