2-pentylsulfanylbutanedioic acid
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2-pentylsulfanylbutanedioic acid
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CAS No:
5413-66-1
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Formula:
C9H16O4S
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Chemical Name:
2-pentylsulfanylbutanedioic acid
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Synonyms:
2-(pentylsulfanyl)butanedioic acid;5413-66-1;NSC7800;2-(pentylsulfanyl)succinic acid;SCHEMBL11941045;DTXSID00278505;NSC-7800;NSC48910;NSC-48910
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CAS No:
2-pentylsulfanylbutanedioic acid Basic Attributes
220.29 g/mol
220.07693016 g/mol
48910|7800
DTXSID00278505
Computed Properties
Molecular Weight:220.29
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:220.07693016
Monoisotopic Mass:220.07693016
Topological Polar Surface Area:99.9
Heavy Atom Count:14
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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