Cas no 79543-50-3 (Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester)
79543-50-3 structure
Product Name:Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester
CAS No:79543-50-3
MF:C8H5I3O3
MW:529.836919546127
CID:532679
PubChem ID:12660818
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester
- methyl 2-hydroxy-3,4,5-triiodobenzoate
- DTXSID80506015
- 79543-50-3
-
- Inchi： 1S/C8H5I3O3/c1-14-8(13)3-2-4(9)5(10)6(11)7(3)12/h2,12H,1H3
- InChI Key： LPDJLRYOEXAQQT-UHFFFAOYSA-N
- SMILES： IC1=C(C(=CC(C(=O)OC)=C1O)I)I
Computed Properties
- Exact Mass: 529.7373g/mol
- Monoisotopic Mass: 529.7373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 224
- 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: 3.9
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
79543-50-3 (Benzoic acid, 2-hydroxy-3,4,5-triiodo-, methyl ester) Related Products
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