Home Other Building Blocks Benzoic acid, 4-(1-cyano-1-methylethyl)-

Benzoic acid, 4-(1-cyano-1-methylethyl)-

CAS No.:
129488-74-0
Catalog Number:
AG000Z69
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG000Z69
Chemical Name:
Benzoic acid, 4-(1-cyano-1-methylethyl)-
CAS Number:
129488-74-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD12761251
IUPAC Name:
4-(2-cyanopropan-2-yl)benzoic acid
InChI:
InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChI Key:
MAVFXLXXHAMJTB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C(=O)O)(C)C
Properties
Complexity:
266  
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:
2.8  
Properties