Home Other Building Blocks ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate

ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate

CAS No.:
201733-74-6
Catalog Number:
AG019LDK
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
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Product Description
Catalog Number:
AG019LDK
Chemical Name:
ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate
CAS Number:
201733-74-6
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD09863437
IUPAC Name:
ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate
InChI:
InChI=1S/C11H11NO2S/c1-3-14-11(13)9(7-12)8(2)10-5-4-6-15-10/h4-6H,3H2,1-2H3
InChI Key:
SZWLAJXMAPFGKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(c1cccs1)C)C#N
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  
Properties