Home Other Building Blocks 3-(4-cyanophenyl)-2-methylpropanoic acid

3-(4-cyanophenyl)-2-methylpropanoic acid

CAS No.:
60423-91-8
Catalog Number:
AG01B2DH
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01B2DH
Chemical Name:
3-(4-cyanophenyl)-2-methylpropanoic acid
CAS Number:
60423-91-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD18445513
IUPAC Name:
3-(4-cyanophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H11NO2/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-5,8H,6H2,1H3,(H,13,14)
InChI Key:
PODRKIBRUMPBFE-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Cc1ccc(cc1)C#N
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties