2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
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![2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a934e47ffa31434abad4a208a200e9f8.png "2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid")
2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
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CAS No:
13072-73-6
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Formula:
C13H14I3NO4
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Chemical Name:
2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
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Synonyms:
13072-73-6;BRN 3038760;2-(3-Amino-2,4,6-triiodobenzyl)adipic acid;Hexanedioic acid, 2-(3-amino-2,4,6-triiodobenzyl)-;2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid;Acido 2-(3-amino-2,4,6-triiodobenzil)adipico [Italian];ADIPIC ACID, 2-(3-AMINO-2,4,6-TRIIODOBENZYL)-;Acido 2-(3-amino-2,4,6-triiodobenzil)adipico;DTXSID10926868;2-[(3-Amino-2,4,6-triiodophenyl)methyl]adipic acid
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CAS No:
2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid Basic Attributes
628.97 g/mol
628.8057 g/mol
Computed Properties
Molecular Weight:628.97
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:628.8057
Monoisotopic Mass:628.8057
Topological Polar Surface Area:101
Heavy Atom Count:21
Complexity:382
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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