3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
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![3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9ff963dbd92b4890908743f38c4b7acd.png "3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid")
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
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CAS No:
339530-91-5
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Formula:
C10H11FO3S
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Chemical Name:
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
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Synonyms:
Propanoic acid,3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-;3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid;2-Hydroxy-2-methyl-3-(4-fluorophenylthio)propionic acid;2-Hydroxy-2-methyl-3-p-fluorophenylsulfanylpropionic acid;3-[(4-Fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid
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CAS No:
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid Basic Attributes
230.25600
230.26
608-927-8
DTXSID70431069
2930909090
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:230.26
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:230.04129354
Monoisotopic Mass:230.04129354
Topological Polar Surface Area:82.8
Heavy Atom Count:15
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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