Methyl 4-hydroxybenzoate-2,3,5,6-d4
| Catalog Number |
ACM362049512 |
| CAS |
362049-51-2 |
| Structure |
 |
| Synonyms |
Methyl paraben-D4 |
| IUPAC Name |
methyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate |
| Molecular Weight |
156.17 |
| Molecular Formula |
C8H4D4O3 |
| Canonical SMILES |
COC(=O)C1=CC=C(C=C1)O |
| InChI |
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3/i2D,3D,4D,5D |
| InChI Key |
LXCFILQKKLGQFO-QFFDRWTDSA-N |
| Purity |
98 atom % D |
| Appearance |
White solid |
| Chemical Formula |
HOC6D4COOCH3 |
| Exact Mass |
156.07200 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])O)[2H] |
| Isotopic Enrichment |
98 atom % D |
| Stability |
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
99-76-3 |
| Unlabeled Synonyms |
Methyl paraben |
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