CAS 98704-00-8
:2-phenyl(1,1,3,3-~2~H_4_)propane-1,3-diol
Description:
2-Phenyl(1,1,3,3-^2H_4)propane-1,3-diol, with the CAS number 98704-00-8, is a deuterated derivative of a phenyl-substituted propane diol. This compound features a propane backbone with hydroxyl (-OH) groups at the first and third carbon positions, and a phenyl group attached to the second carbon. The presence of deuterium (^2H) indicates that some hydrogen atoms in the molecule are replaced with deuterium, which can influence the compound's physical and chemical properties, such as its stability, reactivity, and isotopic labeling in research applications. Typically, compounds like this are used in organic synthesis, medicinal chemistry, and as tracers in metabolic studies due to their unique isotopic signatures. The diol functional groups suggest potential for hydrogen bonding, which may affect solubility and interaction with other molecules. Overall, this compound's characteristics make it valuable in various scientific fields, particularly in studies involving isotopic effects and structural analysis.
Formula:C9H8D4O2
InChI:InChI=1/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/i6D2,7D2
SMILES:c1ccc(cc1)C(C(O)([2H])[2H])C(O)([2H])[2H]
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