97780-06-8 Purity
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Specification
The molecular formula of 2-Acetoxybenzoic-3,4,5,6-D4 acid is C9H8O4.
The synonyms for 2-Acetoxybenzoic-3,4,5,6-D4 acid are Acetylsalicylic Acid-d4, Aspirin-d4, Benzoic-2,3,4,5-d4 acid, 6-(acetyloxy), and more.
The molecular weight of 2-Acetoxybenzoic-3,4,5,6-D4 acid is 184.18 g/mol.
The IUPAC name of 2-Acetoxybenzoic-3,4,5,6-D4 acid is 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid.
The InChI of 2-Acetoxybenzoic-3,4,5,6-D4 acid is InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D.
The InChIKey of 2-Acetoxybenzoic-3,4,5,6-D4 acid is BSYNRYMUTXBXSQ-QFFDRWTDSA-N.
The canonical SMILES of 2-Acetoxybenzoic-3,4,5,6-D4 acid is CC(=O)OC1=CC=CC=C1C(=O)O.
The CAS number of 2-Acetoxybenzoic-3,4,5,6-D4 acid is 97781-16-3.
Yes, 2-Acetoxybenzoic-3,4,5,6-D4 acid is a canonicalized compound.