5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid
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![5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/35f492af39804714a54f6757da5d865f.png "5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid")
5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid
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CAS No:
77005-28-8
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Formula:
C14H14O6S
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Chemical Name:
5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid
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Synonyms:
4H-1-Benzopyran-2-carboxylic acid,5-[2-hydroxy-3-(methylthio)propoxy]-4-oxo-;5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid;Texacromil
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CAS No:
5-[2-Hydroxy-3-(methylthio)propoxy]-4-oxo-4H-1-benzopyran-2-carboxylic acid Basic Attributes
310.32200
310.32
Computed Properties
Molecular Weight:310.32
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:310.05110934
Monoisotopic Mass:310.05110934
Topological Polar Surface Area:118
Heavy Atom Count:21
Complexity:435
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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