126-39-6 Purity
>98.0%(GC)
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Specification
The molecular formula of Ethyl 2,3-butadienoate is C6H8O2.
The molecular weight of Ethyl 2,3-butadienoate is 112.13 g/mol.
The InChI of Ethyl 2,3-butadienoate is InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3.
The InChIKey of Ethyl 2,3-butadienoate is GLSUOACRAMLJIW-UHFFFAOYSA-N.
The Canonical SMILES of Ethyl 2,3-butadienoate is CCOC(=O)C=C=C.
The CAS number of Ethyl 2,3-butadienoate is 14369-81-4.
The EC number of Ethyl 2,3-butadienoate is 627-301-5.
The XLogP3-AA value of Ethyl 2,3-butadienoate is 0.7.
The hydrogen bond donor count of Ethyl 2,3-butadienoate is 0.
The hydrogen bond acceptor count of Ethyl 2,3-butadienoate is 2.
Reference: [1]Li, Ridong; Leng, Penglin; Liu, Bin; Wang, Xin; Ge, Zemei; Li, Runtao
[Tetrahedron, 2016, vol. 72, # 37, p. 5707 - 5712]
Reference: [1]Journal of Organic Chemistry,1989,vol. 54,p. 2862 - 2869
* For details of the synthesis route, please refer to the original source to ensure accuracy.