Cas no 5453-44-1 (2-Butenoic acid, 2-propenyl ester, (E)-)
5453-44-1 structure
Product Name:2-Butenoic acid, 2-propenyl ester, (E)-
CAS No:5453-44-1
MF:C7H10O2
MW:126.153102397919
CID:354314
PubChem ID:92337821
Update Time:2025-04-19
2-Butenoic acid, 2-propenyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid, 2-propenyl ester, (E)-
- 2-propenyl-3-butenoate
-
- MDL： MFCD00026990
- Inchi： 1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3-
- InChI Key： WNJBUWVXSNLWEQ-HYXAFXHYSA-N
- SMILES： O(C(/C=C\C)=O)CC=C
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 125
- 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: 1.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Butenoic acid, 2-propenyl ester, (E)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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