Home Other Building Blocks 2-(4-cyano-2,6-dimethylphenyl)acetic acid

2-(4-cyano-2,6-dimethylphenyl)acetic acid

CAS No.:
181300-36-7
Catalog Number:
AG01BJ9G
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01BJ9G
Chemical Name:
2-(4-cyano-2,6-dimethylphenyl)acetic acid
CAS Number:
181300-36-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD20657947
IUPAC Name:
2-(4-cyano-2,6-dimethylphenyl)acetic acid
InChI:
InChI=1S/C11H11NO2/c1-7-3-9(6-12)4-8(2)10(7)5-11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChI Key:
JFEIHSUESSYCAW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)CC(=O)O
Properties
Complexity:
254  
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:
1.8  
Properties