3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
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3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
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CAS No:
105501-83-5
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Formula:
C12H14O4S
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Chemical Name:
3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
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Synonyms:
NSC627577;2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-;105501-83-5;ACMC-20m8d6;CHEMBL1967320;DTXSID50327037;NSC-627577;NCI60_008803;3-hydroxy-2-(2-hydroxy-6-oxo-cyclohexen-1-yl)sulfanyl-cyclohex-2-en-1-one
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CAS No:
3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one Basic Attributes
254.30 g/mol
254.06128010 g/mol
627577
DTXSID50327037
Computed Properties
Molecular Weight:254.30
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:254.06128010
Monoisotopic Mass:254.06128010
Topological Polar Surface Area:99.9
Heavy Atom Count:17
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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