Cas no 62069-34-5 (Ethanone, 1-(2,4-dihydroxy-3,5-diiodophenyl)-)
62069-34-5 structure
Product Name:Ethanone, 1-(2,4-dihydroxy-3,5-diiodophenyl)-
CAS No:62069-34-5
MF:C8H6I2O3
MW:403.940387248993
CID:459150
PubChem ID:3485906
Update Time:2025-04-19
Ethanone, 1-(2,4-dihydroxy-3,5-diiodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2,4-dihydroxy-3,5-diiodophenyl)-
- 1-(2,4-dihydroxy-3,5-diiodophenyl)ethanone
- 1-(2,4-DIHYDROXY-3,5-DIIODOPHENYL)-1-ETHANONE
- 62069-34-5
- AKOS001577695
- SR-01000078643-1
- SR-01000078643
- SCHEMBL22991359
- DTXSID80392935
-
- Inchi： 1S/C8H6I2O3/c1-3(11)4-2-5(9)8(13)6(10)7(4)12/h2,12-13H,1H3
- InChI Key： WZJYEVYUERSTQF-UHFFFAOYSA-N
- SMILES： IC1=C(C(=CC(C(C)=O)=C1O)I)O
Computed Properties
- Exact Mass: 403.83968
- Monoisotopic Mass: 403.84064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 210
- 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: 2.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Ethanone, 1-(2,4-dihydroxy-3,5-diiodophenyl)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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