Cas no 40993-15-5 (Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, potassium salt (1:1))
40993-15-5 structure
Product Name:Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, potassium salt (1:1)
CAS No:40993-15-5
MF:C14H8I3KO4
MW:660.02264213562
CID:333202
PubChem ID:23684565
Update Time:2025-04-19
Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, potassium salt (1:1)
- potassium,2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate
- Potassium 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenylacetate
- NS00088155
- DTXSID30193994
- potassium;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate
- 40993-15-5
- EINECS 255-167-4
-
- Inchi： 1S/C14H9I3O4.K/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1
- InChI Key： LMSASRWXHHYSTN-UHFFFAOYSA-M
- SMILES： IC1C=C(C=C(C=1OC1C=CC(=C(C=1)I)O)I)CC(=O)[O-].[K+]
Computed Properties
- Exact Mass: 659.7194g/mol
- Monoisotopic Mass: 659.7194g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 362
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.6?2
Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, potassium salt (1:1) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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