2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
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![2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/71bb6e7408f04fff97c33bffcc19698e.png "2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid")
2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
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CAS No:
128924-92-5
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Formula:
C22H33N5O8
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Chemical Name:
2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
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Synonyms:
12(4-nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid;12-NBTATA;2,2',2''-(12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triyl)triacetic acid;128924-92-5;12-Nbtata;ACMC-20mt0t;12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid;DTXSID20926238;1,4,7,10-Tetraazacyclotridecane-1,4,7-triaceticacid, 12-[(4-nitrophenyl)methyl]-;12-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid;1,4,7,10-Tetraazacyclotridecane-1,4,7-triacetic acid, 12-((4-nitrophenyl)methyl)-;2,2',2''-(12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triyl)triacetic acid;2,2',2''-{12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane-1,4,7-triyl}triacetic acid
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CAS No:
2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid Basic Attributes
495.5 g/mol
495.23291303 g/mol
Computed Properties
Molecular Weight:495.5
XLogP3:-6.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:495.23291303
Monoisotopic Mass:495.23291303
Topological Polar Surface Area:180
Heavy Atom Count:35
Complexity:710
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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