Cas no 40976-89-4 (2,4,6-Triiodo-5-(methylamino)-isophthalic acid)
40976-89-4 structure
Product Name:2,4,6-Triiodo-5-(methylamino)-isophthalic acid
CAS No:40976-89-4
MF:C9H6I3NO4
MW:572.861659526825
CID:926426
PubChem ID:50852745
Update Time:2025-04-19
2,4,6-Triiodo-5-(methylamino)-isophthalic acid Chemical and Physical Properties
Names and Identifiers
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- 2,4,6-Triiodo-5-(methylamino)-isophthalic acid
- 2,4,6-triiodo-5-(methylamino)benzene-1,3-dicarboxylic acid
- DTXSID50678874
- 2,4,6-triiodo-5-(methylamino)isophthalic acid
- 40976-89-4
- SCHEMBL9009368
-
- Inchi： 1S/C9H6I3NO4/c1-13-7-5(11)2(8(14)15)4(10)3(6(7)12)9(16)17/h13H,1H3,(H,14,15)(H,16,17)
- InChI Key： WBJREMGRYVPNKY-UHFFFAOYSA-N
- SMILES： IC1C(C(=O)O)=C(C(C(=O)O)=C(C=1NC)I)I
Computed Properties
- Exact Mass: 572.7431g/mol
- Monoisotopic Mass: 572.7431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 86.6?2
2,4,6-Triiodo-5-(methylamino)-isophthalic acid Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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