2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid
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![2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7455cb32ac7540d9acbc7cb72fbbdbad.png "2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid")
2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid
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CAS No:
722490-56-4
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Formula:
C16H11NO3S
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Chemical Name:
2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid
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Synonyms:
ZINC3256214;AKOS034463063;MCULE-4142408694;SR-01000038599;SR-01000038599-1;Z56875562;2-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}benzoic acid;722490-56-4
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CAS No:
2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoic acid Basic Attributes
297.3 g/mol
297.04596439 g/mol
Computed Properties
Molecular Weight:297.3
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:297.04596439
Monoisotopic Mass:297.04596439
Topological Polar Surface Area:104
Heavy Atom Count:21
Complexity:434
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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