Cas no 4072-41-7 ( )
structure
Product Name:
CAS No:4072-41-7
MF:C15H15I2O2
MW:481.087349176407
CID:926094
PubChem ID:54612001
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [4-(2-carboxyethyl)phenyl]-phenyliodanium,hydroiodide
- [p-(2-Carboxyethyl)phenyl]phenyliodonium Jodid
- NSC91019
- [4-(2-carboxyethyl)phenyl]-phenyliodanium;hydroiodide
- NSC-91019
- 4072-41-7
- DTXSID40715449
-
-
- Inchi： 1S/C15H13IO2.HI/c17-15(18)11-8-12-6-9-14(10-7-12)16-13-4-2-1-3-5-13;/h1-7,9-10H,8,11H2;1H/p+1
- InChI Key： QNSGXLXARIBPLB-UHFFFAOYSA-O
- SMILES： [I+](C1C=CC=CC=1)C1C=CC(=CC=1)CCC(=O)O.I
Computed Properties
- Exact Mass: 480.91600
- Monoisotopic Mass: 480.91615g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 253
- 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: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 0.83040
Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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