2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid
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![2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1d9957ecd278462cb2b4a6bfb904977b.png "2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid")
2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid
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CAS No:
29067-70-7
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Formula:
C13H14I3NO3
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Chemical Name:
2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid
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Synonyms:
29067-70-7;BRN 3004040;2-(3-Butyramido-2,4,6-triiodophenyl)propionic acid;Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-;2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid;DTXSID10951670;2-(3-Butyrylamino-2,4,6-triiodophenyl)propionic acid;2-{3-[(1-Hydroxybutylidene)amino]-2,4,6-triiodophenyl}propanoic acid
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CAS No:
2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid Basic Attributes
612.97 g/mol
612.8108 g/mol
Computed Properties
Molecular Weight:612.97
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:612.8108
Monoisotopic Mass:612.8108
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Complexity:367
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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