97729-12-9 Purity
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Specification
The molecular formula of Cumene-D12 is C9H12.
Cumene-D12 was created on July 19, 2005, and last modified on December 30, 2023.
The IUPAC name of Cumene-D12 is 1,2,3,4,5-pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene.
The molecular weight of Cumene-D12 is 132.26 g/mol.
The Canonical SMILES of Cumene-D12 is CC(C)C1=CC=CC=C1.
The InChIKey of Cumene-D12 is RWGFKTVRMDUZSP-CLWNCLMISA-N.
The Isomeric SMILES of Cumene-D12 is [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H].
The European Community (EC) Number of Cumene-D12 is 685-463-2.
The XLogP3 value of Cumene-D12 is 3.7.
Cumene-D12 has 0 defined atom stereocenters.