| Catalog Number |
ACM93131158-1 |
| CAS |
93131-15-8 |
| Structure |
 |
| Synonyms |
3-Phenylpropionic-d9 acid |
| IUPAC Name |
2,2,3,3-tetradeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid |
| Molecular Weight |
159.23 |
| Molecular Formula |
C9HD9O2 |
| InChI |
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/i1D,2D,3D,4D,5D,6D2,7D2 |
| InChI Key |
XMIIGOLPHOKFCH-NVLGFDPUSA-N |
| Boiling Point |
280 °C (lit.) |
| Melting Point |
47-49 °C (lit.) |
| Flash Point |
113 °C |
| Chemical Formula |
C6D5CD2CD2COOH |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C(=O)O)[2H])[2H] |
| Isotopic Enrichment |
99 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 |
501-52-0 |
| Unlabeled Synonyms |
3-Phenylpropionic acid |
