3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid
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![3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/788ef36944534b3586c3d7ac74a6b7df.png "3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid")
3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid
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CAS No:
565174-28-9
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Formula:
C17H14O3S
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Chemical Name:
3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid
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Synonyms:
2-Benzofurancarboxylic acid,3-[[(phenylmethyl)thio]methyl]-;3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid;3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid;3-Benzylsulfanylmethyl-benzofuran-2-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:298.4
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:298.06636548
Monoisotopic Mass:298.06636548
Topological Polar Surface Area:75.7
Heavy Atom Count:21
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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