2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid
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![2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3be1824ebd2148d6863711123369f8c5.png "2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid")
2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid
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CAS No:
331852-10-9
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Formula:
C16H14O2S
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Chemical Name:
2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid
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Synonyms:
2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid;331852-10-9;2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid;2-([(2E)-3-Phenylprop-2-en-1-yl]thio)benzoic acid;Cambridge id 5624518;CHEMBL4575132;2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}benzoic acid;HMS1414G13;ZINC2675140;STK806601;AKOS000203065;ST50775801;2-((2E)-3-phenylprop-2-enylthio)benzoic acid;L-2590;AB00090998-01;AB00090998-02;Benzoic acid, 2-[(3-phenyl-2-propen-1-yl)thio]-;F0223-0056
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CAS No:
Computed Properties
Molecular Weight:270.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:270.07145086
Monoisotopic Mass:270.07145086
Topological Polar Surface Area:62.6
Heavy Atom Count:19
Complexity:308
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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