Home Other Building Blocks ethyl 2-cyano-3-methoxy-3-phenylprop-2-enoate

ethyl 2-cyano-3-methoxy-3-phenylprop-2-enoate

CAS No.:
70638-61-8
Catalog Number:
AG01BDT0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
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Product Description
Catalog Number:
AG01BDT0
Chemical Name:
ethyl 2-cyano-3-methoxy-3-phenylprop-2-enoate
CAS Number:
70638-61-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 2-cyano-3-methoxy-3-phenylprop-2-enoate
InChI:
InChI=1S/C13H13NO3/c1-3-17-13(15)11(9-14)12(16-2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
YVXOWXPIPRBRPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(c1ccccc1)OC)C#N
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  
Properties