3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
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![3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e924a9603b964d8eb0e5ac57183d199c.png "3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid")
3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
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CAS No:
112995-07-0
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Formula:
C15H27N3O6
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Chemical Name:
3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
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Synonyms:
NSC696866;1H-1,4,7-Triazonine-1,4,7-tripropanoic acid, hexahydro-;3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid;1,4,7-Triazacyclononane-1,4,7-tripropionic acid;112995-07-0;ACMC-20c103;SCHEMBL3973280;CHEMBL1987000;DTXSID90327859;NSC-696866;NCI60_034506;N,N',N''-Tris(carboxyethyl)-1,4,7-triazacyclononane
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CAS No:
3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid Basic Attributes
345.39 g/mol
345.18998559 g/mol
696866
DTXSID90327859
Computed Properties
Molecular Weight:345.39
XLogP3:-8.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:345.18998559
Monoisotopic Mass:345.18998559
Topological Polar Surface Area:122
Heavy Atom Count:24
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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