CAS
99677-37-9 Purity
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99677-37-9 Purity
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Specification
The molecular formula is C6H8O6S.
It was first created on March 26, 2005, and last modified on December 30, 2023.
The IUPAC name is 2-(carboxymethylsulfanyl)butanedioic acid.
The InChIKey is JPHVSDWIWBDHOC-UHFFFAOYSA-N.
The molecular weight is 208.19 g/mol.
The Canonical SMILES is C(C(C(=O)O)SCC(=O)O)C(=O)O.
The CAS number is 99-68-3.
It has 3 hydrogen bond donor counts.
The Heavy Atom Count is 13.
Yes, it is a canonicalized compound.