3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
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3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
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CAS No:
743440-27-9
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Formula:
C11H10O3S
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Chemical Name:
3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
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Synonyms:
3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid;743440-27-9;3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid;ZINC2643729;AKOS008967005;MCULE-2286516921;NE55190;EN300-09060;SR-01000050366;SR-01000050366-1;Z56970165;3-[(methylthio)methyl]-1-benzofuran-2-carboxylic acid, AldrichCPR
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CAS No:
3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Basic Attributes
222.26 g/mol
222.03506535 g/mol
Computed Properties
Molecular Weight:222.26
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.03506535
Monoisotopic Mass:222.03506535
Topological Polar Surface Area:75.7
Heavy Atom Count:15
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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