Home Other Building Blocks ethyl 3-(4-cyanophenyl)-2-methylpropanoate

ethyl 3-(4-cyanophenyl)-2-methylpropanoate

CAS No.:
1955557-47-7
Catalog Number:
AG01B2DG
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B2DG
Chemical Name:
ethyl 3-(4-cyanophenyl)-2-methylpropanoate
CAS Number:
1955557-47-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD29991591
IUPAC Name:
ethyl 3-(4-cyanophenyl)-2-methylpropanoate
InChI:
InChI=1S/C13H15NO2/c1-3-16-13(15)10(2)8-11-4-6-12(9-14)7-5-11/h4-7,10H,3,8H2,1-2H3
InChI Key:
PHDODUJXXOZWPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Cc1ccc(cc1)C#N)C
Properties
Complexity:
271  
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