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

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

CAS No.:
69713-44-6
Catalog Number:
AG01C8YW
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01C8YW
Chemical Name:
2-(2-methylbutan-2-yl)benzoic acid
CAS Number:
69713-44-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD09260813
IUPAC Name:
2-(2-methylbutan-2-yl)benzoic acid
InChI:
InChI=1S/C12H16O2/c1-4-12(2,3)10-8-6-5-7-9(10)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChI Key:
XFUJPVTUKBTYQP-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1C(=O)O)(C)C
Properties
Complexity:
208  
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:
4.3  
Properties