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

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

CAS No.:
445003-63-4
Catalog Number:
AG019SB4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG019SB4
Chemical Name:
2-(3-cyanophenyl)-2-methylpropanoic acid
CAS Number:
445003-63-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD16748917
IUPAC Name:
2-(3-cyanophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-4-8(6-9)7-12/h3-6H,1-2H3,(H,13,14)
InChI Key:
RPYGNUJSGOMETM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(C(=O)O)(C)C
Properties
Complexity:
274  
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:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties