Cas no 652975-98-9 (2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-)
652975-98-9 structure
Product Name:2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-
CAS No:652975-98-9
MF:C6H7IO2
MW:238.023054361343
CID:401286
PubChem ID:71376256
Update Time:2025-04-19
2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-
- prop-2-enyl 3-iodoprop-2-enoate
- DTXSID50798965
- Prop-2-en-1-yl 3-iodoprop-2-enoate
- 652975-98-9
-
- Inchi： 1S/C6H7IO2/c1-2-5-9-6(8)3-4-7/h2-4H,1,5H2
- InChI Key： WGGRCAMYVSPHHU-UHFFFAOYSA-N
- SMILES： IC=CC(=O)OCC=C
Computed Properties
- Exact Mass: 237.94861
- Monoisotopic Mass: 237.94908g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
652975-98-9 (2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-) Related Products
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