Cas no 71041-38-8 (2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)-)
71041-38-8 structure
Product Name:2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)-
CAS No:71041-38-8
MF:C7H10O3
MW:142.152502536774
CID:546206
PubChem ID:19773866
Update Time:2025-04-19
2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)-
- SCHEMBL8872407
- 71041-38-8
- (E)-Ethyl 2-methyl-4-oxobut-2-enoate
-
- Inchi： 1S/C7H10O3/c1-3-10-7(9)6(2)4-5-8/h4-5H,3H2,1-2H3/b6-4+
- InChI Key： SHPFIKDJWFHYJR-GQCTYLIASA-N
- SMILES： O(C(/C(=C/C=O)/C)=O)CC
Computed Properties
- Exact Mass: 142.063
- Monoisotopic Mass: 142.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 158
- 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: 0.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)- Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
71041-38-8 (2-Butenoic acid, 2-methyl-4-oxo-, ethyl 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)
- 6124-79-4(4-Methyl-2(5H)-furanone)
- 1462-12-0(1,3-diethyl 2-ethylidenepropanedioate)
- 6802-75-1(Diethyl isopropylidenemalonate)
- 616-02-4(3-methyl-2,5-dihydrofuran-2,5-dione)
- 61692-83-9(Propyl tiglate)
- 766-39-2(2,3-Dimethylmaleic anhydride)
- 6174-95-4(tetraethyl ethylenetetracarboxylate)
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
