General Information | |
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Catalog: BLP-002675 | |
CAS: 1335014-65-7 | |
Molecular Formula: C9HD9O2 | |
Molecular Weight: 159.23 | |
Related CAS: 499-06-9 (unlabelled) |
Synonyms | 3,5-Dimethylbenzoic-d9 Acid; 3,5-Dimethyl-benzoic-d9 Acid; Mesitylenic-d9 Acid; NSC 37562-d9 |
IUPAC Name | 2,4,6-trideuterio-3,5-bis(trideuteriomethyl)benzoic acid |
Canonical SMILES | CC1=CC(=CC(=C1)C(=O)O)C |
InChI | InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)/i1D3,2D3,3D,4D,5D |
InChI Key | UMVOQQDNEYOJOK-XVGWXEQOSA-N |
Purity | > 98% |