Home Other Building Blocks 2-(2,2-dimethylpropyl)benzoic acid

2-(2,2-dimethylpropyl)benzoic acid

CAS No.:
51351-79-2
Catalog Number:
AG01C84N
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01C84N
Chemical Name:
2-(2,2-dimethylpropyl)benzoic acid
CAS Number:
51351-79-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD09260827
IUPAC Name:
2-(2,2-dimethylpropyl)benzoic acid
InChI:
InChI=1S/C12H16O2/c1-12(2,3)8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
WZPYTOSIMXYFQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CC(C)(C)C
Properties
Complexity:
203  
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:
4.1  
Properties