Cas no 38318-63-7 (2-Butenedioicacid, 2-iodo-, 1,4-diethyl ester, (2Z)-)
38318-63-7 structure
Product Name:2-Butenedioicacid, 2-iodo-, 1,4-diethyl ester, (2Z)-
CAS No:38318-63-7
MF:C8H11IO4
MW:298.075015306473
CID:323790
PubChem ID:5359100
Update Time:2025-04-19
2-Butenedioicacid, 2-iodo-, 1,4-diethyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioicacid, 2-iodo-, 1,4-diethyl ester, (2Z)-
- diethyl (Z)-2-iodobut-2-enedioate
- AC1NSDP8
- diethyl iodo-fumarate
- Ethyl-jodfumarat
- NSC296517
- Diethyl iodofumarate
- JIWZEOZISPXCRS-WAYWQWQTSA-N
- 38318-63-7
- 2-Butenedioic acid, 2-iodo-, diethyl ester, (Z)-
- SCHEMBL4250561
- SCHEMBL4250566
- NSC 296517
- NSC-296517
-
- Inchi： 1S/C8H11IO4/c1-3-12-7(10)5-6(9)8(11)13-4-2/h5H,3-4H2,1-2H3/b6-5-
- InChI Key： JIWZEOZISPXCRS-WAYWQWQTSA-N
- SMILES： I/C(/C(=O)OCC)=C\C(=O)OCC
Computed Properties
- Exact Mass: 297.96973
- Monoisotopic Mass: 297.97021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 1.43150
2-Butenedioicacid, 2-iodo-, 1,4-diethyl ester, (2Z)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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