Home Other Building Blocks 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid

2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid

CAS No.:
1439896-97-5
Catalog Number:
AG01AV44
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
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Product Description
Catalog Number:
AG01AV44
Chemical Name:
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CAS Number:
1439896-97-5
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD17525708
IUPAC Name:
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C12H13F3O2/c1-11(2,10(16)17)7-8-3-5-9(6-4-8)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChI Key:
HYFCGUVKJAVDBU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1)C(F)(F)F)(C)C
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties