90395-45-2 Purity
96%
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Specification
Molecular formula of 3-Phenylmethanesulfonyl-propionic acid is C10H12O4S.
The molecular weight of 3-Phenylmethanesulfonyl-propionic acid is 228.27 g/mol.
Some synonyms of 3-Phenylmethanesulfonyl-propionic acid are 3-(benzylsulfonyl)propanoic acid, 3-benzylsulfonylpropanoic acid, and 3-phenylmethanesulfonylpropanoic acid.
3-Phenylmethanesulfonyl-propionic acid was created on 2005-08-10 and last modified on 2023-12-30.
The IUPAC name of 3-Phenylmethanesulfonyl-propionic acid is 3-benzylsulfonylpropanoic acid.
The InChI of 3-Phenylmethanesulfonyl-propionic acid is InChI=1S/C10H12O4S/c11-10(12)6-7-15(13,14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12).
The InChIKey of 3-Phenylmethanesulfonyl-propionic acid is DXVJEQSCVWZYQP-UHFFFAOYSA-N.
The canonical SMILES of 3-Phenylmethanesulfonyl-propionic acid is C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)O.
The XLogP3-AA value of 3-Phenylmethanesulfonyl-propionic acid is 0.6.
The topological polar surface area of 3-Phenylmethanesulfonyl-propionic acid is 79.8 Ų.