3-(carboxymethylsulfanyl)-4,4,5,5,6,6,6-heptafluorohexanoic acid
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3-(carboxymethylsulfanyl)-4,4,5,5,6,6,6-heptafluorohexanoic acid
structure -
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CAS No:
424-55-5
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Formula:
C8H7F7O4S
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Chemical Name:
3-(carboxymethylsulfanyl)-4,4,5,5,6,6,6-heptafluorohexanoic acid
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Synonyms:
NSC146413;424-55-5;3-[(carboxymethyl)sulfanyl]-4,4,5,5,6,6,6-heptafluorohexanoic acid;DTXSID50301791;NSC-146413
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CAS No:
3-(carboxymethylsulfanyl)-4,4,5,5,6,6,6-heptafluorohexanoic acid Basic Attributes
332.19 g/mol
331.99532701 g/mol
146413
DTXSID50301791
3-(carboxymethylsulfanyl)-4,4,5,5,6,6,6-heptafluorohexanoic acid Use and Manufacturing
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Computed Properties
Molecular Weight:332.19
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:331.99532701
Monoisotopic Mass:331.99532701
Topological Polar Surface Area:99.9
Heavy Atom Count:20
Complexity:382
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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