2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
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![2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b0abbb01610c4c9ea3d6d7551190f2f2.png "2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid")
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
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CAS No:
56491-86-2
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Formula:
C12H21N3O6
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Chemical Name:
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
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Synonyms:
1,4,7-triazacyclononane-N,N',N''-triacetic acid;67Ga-9N3;NOTA;NOTA;56491-86-2;2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid;1,4,7-Triazacyclononane-N,N',N''-triacetic acid;1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-;CHEMBL2005280;NSC696860;1,4,7-triazacyclononane-1,4,7 triacetic acid;67Ga-9N3;2,2',2''-(1,4,7-triazonane-1,4,7-triyl)triacetic acid;SCHEMBL173508;Hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid;DTXSID60205034;BDBM50452815;MFCD00137938;s6923;ZINC19365651;AKOS016035272;ACN-037611;NSC-696860;NCI60_034500;FT-0699859;1,4,7-triazacyclononane-1,4,7-triacetic acid;1,4,7-triazacyclononane-n,n',n"-triacetic acid;1,4,7-tricarboxymethyl-1,4,7-triazacyclononane;1H-1,7-Triazonine-1,4,7-triacetic acid, octahydro-;N,N',N''-Tris(carboxymethyl)-1,4,7-triazacyclononane
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CAS No:
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid Basic Attributes
303.31 g/mol
303.14303540 g/mol
696860
DTXSID60205034
Computed Properties
Molecular Weight:303.31
XLogP3:-7.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:303.14303540
Monoisotopic Mass:303.14303540
Topological Polar Surface Area:122
Heavy Atom Count:21
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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