2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid
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2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid
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CAS No:
63905-80-6
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Formula:
C8H8O4S
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Chemical Name:
2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid
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Synonyms:
63905-80-6;((2,5-Dioxo-3-cyclohexen-1-yl)thio)acetic acid;2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid;ACETIC ACID, ((2,5-DIOXO-3-CYCLOHEXEN-1-YL)THIO)-;DTXSID40980897;[(2,5-Dioxo-3-cyclohexenyl)thio]acetic acid;[(2,5-dioxocyclohex-3-en-1-yl)sulfanyl]acetic acid
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CAS No:
Computed Properties
Molecular Weight:200.21
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:200.01432991
Monoisotopic Mass:200.01432991
Topological Polar Surface Area:96.7
Heavy Atom Count:13
Complexity:282
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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