2-[4-(prop-2-ynylamino)phenyl]propanoic acid
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![2-[4-(prop-2-ynylamino)phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1831eb37565f4bb09c4b2e4c67ca4d71.png "2-[4-(prop-2-ynylamino)phenyl]propanoic acid")
2-[4-(prop-2-ynylamino)phenyl]propanoic acid
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CAS No:
39718-90-6
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Formula:
C12H13NO2
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Chemical Name:
2-[4-(prop-2-ynylamino)phenyl]propanoic acid
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Synonyms:
39718-90-6;BRN 2371403;2-(4-(Propargylamino)phenyl)propionic acid;2-[4-(prop-2-ynylamino)phenyl]propanoic acid;Propionic acid, 2-(4-(2-propynylamino)phenyl)-;Acide (propargylamino-4 phenyl)-2 propionique [French];Acide (propargylamino-4 phenyl)-2 propionique;SCHEMBL11795673;DTXSID00960317;2-(p-propargylaminophenyl)-propionic acid;2-{4-[(Prop-2-yn-1-yl)amino]phenyl}propanoic acid
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CAS No:
Computed Properties
Molecular Weight:203.24
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:49.3
Heavy Atom Count:15
Complexity:258
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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