| CAS Number | 207291-72-3 |
| Catalog Number | AG00BH3D(AGN-PC-04778V) |
| Chemical Name | Ethyl 5-hydroxy-3-methyl-4-isoxazole carboxylate, sodium salt hydrate |
| IUPAC Name | sodium;4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-olate;hydrate |
| InChI | InChI=1S/C7H9NO4.Na.H2O/c1-3-11-6(9)5-4(2)8-12-7(5)10;;/h10H,3H2,1-2H3;;1H2/q;+1;/p-1 |
| InChI Key | FUQGYGTVHBHPSD-UHFFFAOYSA-M |
| MDL Number | MFCD00167260 |
| Molecular Formula | C7H11NNaO5 |
| Molecular Weight | 212.1557 |
| SMILES | [Na+].O.O1C(O)=C(C(=O)OCC)C(C)=N1 |
| Synonyms | 207291-72-3,
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate,
DTXSID40635512,
AKOS024307440,
ACM207291723,
ST50319660,
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate, 97%,
SODIUM 4-(ETHOXYCARBONYL)-3-METHYL-1,2-OXAZOL-5-OLATE HYDRATE,
Sodium 4-(ethoxycarbonyl)-3-methyl-1,2-oxazol-5-olate--water (1/1/1),
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.149g/mol |
| Monoisotopic Mass | 211.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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