2-Butenoicacid,2-hydroxy-4-oxo-4-(2-thienyl)-(9CI)
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2-Butenoicacid,2-hydroxy-4-oxo-4-(2-thienyl)-(9CI)
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CAS No:
488111-17-7
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Formula:
C8H6O4S
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Chemical Name:
2-Butenoicacid,2-hydroxy-4-oxo-4-(2-thienyl)-(9CI)
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Synonyms:
CHEMBL1829073;SCHEMBL15563307;ZINC100440634;2-Hydroxy-4-oxo-4-thiophen-2-yl-but-2-enoic acid;(Z)-2-hydroxy-4-oxo-4-(2-thienyl)but-2-enoic acid;2-Hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoic acid;(2z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoic acid
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CAS No:
Computed Properties
Molecular Weight:198.20
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:197.99867984
Monoisotopic Mass:197.99867984
Topological Polar Surface Area:103
Heavy Atom Count:13
Complexity:259
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-Butenoicacid,2-hydroxy-4-oxo-4-(2-thienyl)-(9CI)
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