Structure

Ethyl 2,3-butadienoate

CAS
14369-81-4
Catalog Number
ACM14369814
Category
Ortho Esters
Molecular Weight
112.13
Molecular Formula
C6H8O2

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Specification

Hazard Statements
H302
RIDADR
UN 1987C 3 / PGIII
Symbol
GHS07
What is the molecular formula of Ethyl 2,3-butadienoate?

The molecular formula of Ethyl 2,3-butadienoate is C6H8O2.

What is the molecular weight of Ethyl 2,3-butadienoate?

The molecular weight of Ethyl 2,3-butadienoate is 112.13 g/mol.

What is the InChI of Ethyl 2,3-butadienoate?

The InChI of Ethyl 2,3-butadienoate is InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3.

What is the InChIKey of Ethyl 2,3-butadienoate?

The InChIKey of Ethyl 2,3-butadienoate is GLSUOACRAMLJIW-UHFFFAOYSA-N.

What is the Canonical SMILES of Ethyl 2,3-butadienoate?

The Canonical SMILES of Ethyl 2,3-butadienoate is CCOC(=O)C=C=C.

What is the CAS number of Ethyl 2,3-butadienoate?

The CAS number of Ethyl 2,3-butadienoate is 14369-81-4.

What is the EC number of Ethyl 2,3-butadienoate?

The EC number of Ethyl 2,3-butadienoate is 627-301-5.

What is the XLogP3-AA value of Ethyl 2,3-butadienoate?

The XLogP3-AA value of Ethyl 2,3-butadienoate is 0.7.

What is the hydrogen bond donor count of Ethyl 2,3-butadienoate?

The hydrogen bond donor count of Ethyl 2,3-butadienoate is 0.

What is the hydrogen bond acceptor count of Ethyl 2,3-butadienoate?

The hydrogen bond acceptor count of Ethyl 2,3-butadienoate is 2.

Upstream Synthesis Route 1

  • 75-36-5
  • 1099-45-2
  • 14369-81-4

Reference: [1]Li, Ridong; Leng, Penglin; Liu, Bin; Wang, Xin; Ge, Zemei; Li, Runtao
[Tetrahedron, 2016, vol. 72, # 37, p. 5707 - 5712]

Downstream Synthesis Route 1

  • 14369-81-4
  • 57497-39-9
  • 120610-24-4

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.

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