Cas no 67191-74-6 (2-Butenedioic acid,2-iodo-, dipropyl ester, (Z)- (9CI))
67191-74-6 structure
Product Name:2-Butenedioic acid,2-iodo-, dipropyl ester, (Z)- (9CI)
CAS No:67191-74-6
MF:C10H15IO4
MW:326.128175973892
CID:520691
PubChem ID:5359092
Update Time:2025-04-19
2-Butenedioic acid,2-iodo-, dipropyl ester, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid,2-iodo-, dipropyl ester, (Z)- (9CI)
- dipropyl (Z)-2-iodobut-2-enedioate
- 67191-74-6
- DTXSID20418567
- SCHEMBL4254660
- NSC296273
- NSC-296273
- SCHEMBL4254652
-
- Inchi： 1S/C10H15IO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h7H,3-6H2,1-2H3/b8-7-
- InChI Key： SCIDWFGUFNINMC-FPLPWBNLSA-N
- SMILES： I/C(=C\C(=O)OCCC)/C(=O)OCCC
Computed Properties
- Exact Mass: 326.00105
- Monoisotopic Mass: 326.001502
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 248
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 2.7
Experimental Properties
- Density: 1.532
- Boiling Point: 329.3°C at 760 mmHg
- Flash Point: 153°C
- Refractive Index: 1.52
- PSA: 52.6
- LogP: 2.21170
2-Butenedioic acid,2-iodo-, dipropyl ester, (Z)- (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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