92204-03-0 Purity
98 atom % D
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Specification
The molecular formula of cis-Styrenesulfonylacetic acid is C10H10O4S.
The molecular weight of cis-Styrenesulfonylacetic acid is 226.25 g/mol.
The IUPAC name of cis-Styrenesulfonylacetic acid is 2-[(Z)-2-phenylethenyl]sulfonylacetic acid.
The InChI of cis-Styrenesulfonylacetic acid is InChI=1S/C10H10O4S/c11-10(12)8-15(13,14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6-.
The InChIKey of cis-Styrenesulfonylacetic acid is WCOXFTGMNJJABC-SREVYHEPSA-N.
The canonical SMILES of cis-Styrenesulfonylacetic acid is C1=CC=C(C=C1)C=CS(=O)(=O)CC(=O)O.
cis-Styrenesulfonylacetic acid has 1 hydrogen bond donor count.
The XLogP3-AA of cis-Styrenesulfonylacetic acid is 1.2.
cis-Styrenesulfonylacetic acid has 4 rotatable bond counts.
Yes, cis-Styrenesulfonylacetic acid is canonically isomeric.