2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid
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![2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bdd6749ce205419e899e410047b69f17.png "2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid")
2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid
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CAS No:
10590-23-5
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Formula:
C17H20I3NO5
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Chemical Name:
2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid
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Synonyms:
10590-23-5;BRN 3040745;2-(3-Butyramido-2,4,6-triiodobenzyl)adipic acid;Hexanedioic acid, 2-(3-butyramido-2,4,6-triiodobenzyl)-;ADIPIC ACID, 2-(3-BUTYRAMIDO-2,4,6-TRIIODOBENZYL)-;Acido 2-(3-butirroilamino-2,4,6-triiodobenzil)adipico [Italian];Acido 2-(3-butirroilamino-2,4,6-triiodobenzil)adipico;DTXSID70909819;2-[[3-(Butyrylamino)-2,4,6-triiodophenyl]methyl]adipic acid;2-({3-[(1-Hydroxybutylidene)amino]-2,4,6-triiodophenyl}methyl)hexanedioic acid
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CAS No:
2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid Basic Attributes
699.06 g/mol
698.8476 g/mol
Computed Properties
Molecular Weight:699.06
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:698.8476
Monoisotopic Mass:698.8476
Topological Polar Surface Area:104
Heavy Atom Count:26
Complexity:505
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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