| CAS Number | 76172-73-1 |
| Catalog Number | AG003RF5(AGN-PC-0U96W9) |
| Chemical Name | Phenoxyacetic acid magnesium salt |
| IUPAC Name | magnesium;2-phenoxyacetate;dihydrate |
| InChI | InChI=1S/2C8H8O3.Mg.2H2O/c2*9-8(10)6-11-7-4-2-1-3-5-7;;;/h2*1-5H,6H2,(H,9,10);;2*1H2/q;;+2;;/p-2 |
| InChI Key | AEXFUWLZNYAQKL-UHFFFAOYSA-L |
| MDL Number | MFCD20259671 |
| Molecular Formula | C16H18MgO8 |
| Molecular Weight | 362.6143 |
| SMILES | O.O.[Mg++].[O-]C(=O)COC1=CC=CC=C1.[O-]C(=O)COC1=CC=CC=C1 |
| Synonyms | MagnesiuM Phenoxyacetate Dihydrate,
76172-73-1,
ACMC-209p21,
CTK8B2286,
DTXSID90743095,
ANW-36743,
AKOS025295723,
Magnesium phenoxyacetate--water (1/2/2),
TR-024418,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.617g/mol |
| Monoisotopic Mass | 362.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number