2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid
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![2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2ff01f4f1e94431cbb578b6060633645.png "2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid")
2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid
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CAS No:
52787-33-4
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Formula:
C16H14O3S
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Chemical Name:
2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid
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Synonyms:
4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid;52787-33-4;BENZENEACETIC ACID, 4-(1,3-BENZOXATHIOL-2-YL)-alpha-METHYL-;DTXSID20967242;2-[4-(2H-1,3-Benzoxathiol-2-yl)phenyl]propanoic acid
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CAS No:
Computed Properties
Molecular Weight:286.3
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:286.06636548
Monoisotopic Mass:286.06636548
Topological Polar Surface Area:71.8
Heavy Atom Count:20
Complexity:352
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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