Home Other Building Blocks ethyl 2-cyano-2-methyl-3-phenylpropanoate

ethyl 2-cyano-2-methyl-3-phenylpropanoate

CAS No.:
104876-35-9
Catalog Number:
AG01B1T2
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
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Product Description
Catalog Number:
AG01B1T2
Chemical Name:
ethyl 2-cyano-2-methyl-3-phenylpropanoate
CAS Number:
104876-35-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD19350638
IUPAC Name:
ethyl 2-cyano-2-methyl-3-phenylpropanoate
InChI:
InChI=1S/C13H15NO2/c1-3-16-12(15)13(2,10-14)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChI Key:
REKQIBZXKNXEAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Cc1ccccc1)(C#N)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties