Cas no 55212-82-3 (2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester, (2E)-)
55212-82-3 structure
Product Name:2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester, (2E)-
CAS No:55212-82-3
MF:C10H17NO3
MW:199.246883153915
CID:352538
PubChem ID:580979
Update Time:2025-04-19
2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester, (2E)-
- ethyl 3-morpholin-4-ylbut-2-enoate
- 55212-82-3
- ethyl 3-(morpholin-4-yl)but-2-enoate
- AKOS034464081
- DTXSID10342342
- ethyl 3-morpholinobut-2-enate
-
- Inchi： 1S/C10H17NO3/c1-3-14-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3
- InChI Key： CENCNIGVANECFS-UHFFFAOYSA-N
- SMILES： O1CCN(C(=CC(=O)OCC)C)CC1
Computed Properties
- Exact Mass: 199.12091
- Monoisotopic Mass: 199.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 219
- 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: 0.8
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.77
2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester, (2E)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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