Cas no 55370-56-4 (2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester)
55370-56-4 structure
Product Name:2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester
CAS No:55370-56-4
MF:C9H15NO3
MW:185.220302820206
CID:352146
PubChem ID:71364202
Update Time:2025-04-19
2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester
- methyl 3-morpholin-4-ylbut-2-enoate
- 55370-56-4
- DTXSID60787683
- Methyl 3-(morpholin-4-yl)but-2-enoate
-
- Inchi： 1S/C9H15NO3/c1-8(7-9(11)12-2)10-3-5-13-6-4-10/h7H,3-6H2,1-2H3
- InChI Key： JZVQAAJEWINOCM-UHFFFAOYSA-N
- SMILES： O1CCN(C(=CC(=O)OC)C)CC1
Computed Properties
- Exact Mass: 185.10525
- Monoisotopic Mass: 185.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 207
- 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: 0.5
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.77
2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
55370-56-4 (2-Butenoic acid, 3-(4-morpholinyl)-, methyl ester) Related Products
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