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

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

CAS No.:
521068-44-0
Catalog Number:
AG01BGBY
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
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Product Description
Catalog Number:
AG01BGBY
Chemical Name:
ethyl 2-(3-cyanophenyl)-2-methylpropanoate
CAS Number:
521068-44-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD16756801
IUPAC Name:
ethyl 2-(3-cyanophenyl)-2-methylpropanoate
InChI:
InChI=1S/C13H15NO2/c1-4-16-12(15)13(2,3)11-7-5-6-10(8-11)9-14/h5-8H,4H2,1-3H3
InChI Key:
XQVYPZKYLFMKDV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)C#N)(C)C
Properties
Complexity:
300  
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:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties