CID 5474148
Chemical Structure Depiction
(2Z,5Z)-2,5-bis[ethoxy(hydroxy)methylidene]thiolane-3,4-dione
InChI=1S/C10H12O6S/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h13-14H,3-4H2,1-2H3/b9-7-,10-8-
WGXYDZOLBGAABB-XOHWUJONSA-N
CCO/C(=C/1\S/C(=C(\OCC)/O)/C(=O)C1=O)/O
C10H12O6S
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Reference
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Molecular Weight
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260.27 g/mol
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XLogP3-AA
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2.1
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Hydrogen Bond Donor Count
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2
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Hydrogen Bond Acceptor Count
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7
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Rotatable Bond Count
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4
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Exact Mass
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260.03545927 g/mol
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Monoisotopic Mass
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260.03545927 g/mol
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Topological Polar Surface Area
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118 A^2
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Heavy Atom Count
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17
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Formal Charge
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0
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Complexity
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371
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Isotope Atom Count
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0
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Defined Atom Stereocenter Count
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0
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Undefined Atom Stereocenter Count
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0
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Defined Bond Stereocenter Count
Property Value
2
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Undefined Bond Stereocenter Count
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0
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Covalently-Bonded Unit Count
Property Value
1
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Compound Is Canonicalized
Property Value
Yes
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CONTENTS