Home Other Building Blocks ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate

ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate

CAS No.:
15854-05-4
Catalog Number:
AG019IXT
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
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Product Description
Catalog Number:
AG019IXT
Chemical Name:
ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
CAS Number:
15854-05-4
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD01580189
IUPAC Name:
ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
InChI:
InChI=1S/C15H17NO4/c1-5-20-15(17)12(9-16)10(2)11-6-7-13(18-3)14(8-11)19-4/h6-8H,5H2,1-4H3
InChI Key:
VRVDGLSITMUIHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(c1ccc(c(c1)OC)OC)C)C#N
Properties
Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  
Properties