5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylic acid
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5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylic acid
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CAS No:
20076-85-1
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Formula:
C14H12O4S
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Chemical Name:
5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylic acid
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Synonyms:
20076-85-1;SV 2;5-benzyl-6-hydroxy-2-methyl-4-oxo-4h-thiopyran-3-carboxylic acid;DTXSID90942102;2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-6-methyl-2-oxo-;3-Benzyl-4-hydroxy-6-methyl-2-oxo-2H-thiopyran-5-carboxylic acid
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CAS No:
5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylic acid Basic Attributes
276.31 g/mol
276.04563003 g/mol
Computed Properties
Molecular Weight:276.31
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:276.04563003
Monoisotopic Mass:276.04563003
Topological Polar Surface Area:99.9
Heavy Atom Count:19
Complexity:470
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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