98599-84-9 Purity
96%
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Specification
The molecular formula is C7H9NO3S.
The molecular weight is 187.22 g/mol.
The IUPAC name is 2-amino-4-methylsulfonylphenol.
The CAS number is 98-30-6.
The InChI is InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3.
The InChIKey is SFLMBHYNCSYPOO-UHFFFAOYSA-N.
The canonical SMILES is CS(=O)(=O)C1=CC(=C(C=C1)O)N.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
The topological polar surface area is 88.8?2.
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