(3A,4,5,6,7,7A-HEXAHYDRO-1 H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID
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(3A,4,5,6,7,7A-HEXAHYDRO-1 H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID
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CAS No:
797781-76-1
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Formula:
C9H14N2O2S
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Chemical Name:
(3A,4,5,6,7,7A-HEXAHYDRO-1 H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID
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Synonyms:
(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid;2-(7,9-diazabicyclo[4.3.0]non-7-en-8-ylthio)acetic acid;HMS1692B14;(3a,4,5,6,7,7a-Hexahydro-1H-benzoimidazol-2-ylsulfanyl)-acetic acid;MFCD03426658;SBB011300;AKOS000303090;AKOS023808628;DB-016381;ST50286636
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CAS No:
(3A,4,5,6,7,7A-HEXAHYDRO-1 H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID Basic Attributes
214.28
214.078
Computed Properties
Molecular Weight:214.29
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:214.07759887
Monoisotopic Mass:214.07759887
Topological Polar Surface Area:87
Heavy Atom Count:14
Complexity:268
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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