Cas no 19945-62-1 (2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)-)
19945-62-1 structure
Product Name:2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)-
CAS No:19945-62-1
MF:C6H8O3
MW:128.125922203064
CID:1390826
PubChem ID:12165602
Update Time:2025-04-20
2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)-
- DTXSID201283203
- SCHEMBL4866478
- Methyl (2E)-2-methyl-4-oxo-2-butenoate
- 19945-62-1
-
- Inchi： 1S/C6H8O3/c1-5(3-4-7)6(8)9-2/h3-4H,1-2H3/b5-3+
- InChI Key： QTZRMOICYYNVDZ-HWKANZROSA-N
- SMILES： O(C)C(/C(=C/C=O)/C)=O
Computed Properties
- Exact Mass: 128.04734
- Monoisotopic Mass: 128.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 146
- 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: 0.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
19945-62-1 (2-Butenoic acid, 2-methyl-4-oxo-, methyl ester, (2E)-) Related Products
- 6622-76-0(Methyl tiglate)
- 14316-68-8(2-Butenoic acid,2-methyl-, 1,1'-anhydride, (2E,2'E)-)
- 5837-78-5(Ethyl tiglate)
- 1567-14-2(2-Methyl (E)-2-Methyl-2-pentenoate)
- 17041-60-0(Dimethyl ethylidenemalonate)
- 61692-83-9(Propyl tiglate)
- 22035-53-6(Dimethyl isopropylidenemalonate)
- 5953-76-4(Angelic Acid Methyl Ester)
- 617-54-9(Dimethyl citraconate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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