Cas no 589-26-4 (2-Propenoic acid, 3-(2-furanyl)-, butyl ester)
589-26-4 structure
Product Name:2-Propenoic acid, 3-(2-furanyl)-, butyl ester
CAS No:589-26-4
MF:C11H14O3
MW:194.227063655853
CID:340430
Update Time:2024-01-28
2-Propenoic acid, 3-(2-furanyl)-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(2-furanyl)-, butyl ester
- butyl 3-(furan-2-yl)prop-2-enoate
-
- Inchi： 1S/C11H14O3/c1-2-3-8-14-11(12)7-6-10-5-4-9-13-10/h4-7,9H,2-3,8H2,1H3/b7-6+
- InChI Key： LKRMNIAHVIWPKN-VOTSOKGWSA-N
- SMILES： C(OCCCC)(=O)/C=C/C1=CC=CO1
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 199
- 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
- Topological Polar Surface Area: 39.4A^2
Experimental Properties
- PSA: 39.44
2-Propenoic acid, 3-(2-furanyl)-, butyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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