Home Other Building Blocks 4-(2-methylbutan-2-yl)benzoic acid

4-(2-methylbutan-2-yl)benzoic acid

CAS No.:
20129-71-9
Catalog Number:
AG01A04J
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01A04J
Chemical Name:
4-(2-methylbutan-2-yl)benzoic acid
CAS Number:
20129-71-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD09260826
IUPAC Name:
4-(2-methylbutan-2-yl)benzoic acid
InChI:
InChI=1S/C12H16O2/c1-4-12(2,3)10-7-5-9(6-8-10)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChI Key:
YFFAAVQQUYFOTD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C(=O)O)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties