Home Other Building Blocks 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]acetic acid

2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]acetic acid

CAS No.:
1523275-98-0
Catalog Number:
AG01BFY2
Molecular Formula:
C9H13F3O3
Molecular Weight:
226.1929
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Product Description
Catalog Number:
AG01BFY2
Chemical Name:
2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
CAS Number:
1523275-98-0
Molecular Formula:
C9H13F3O3
Molecular Weight:
226.1929
MDL Number:
MFCD21741787
IUPAC Name:
2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
InChI:
InChI=1S/C9H13F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h5-7,13H,1-4H2,(H,14,15)
InChI Key:
NUNXJBDJLLMIGP-UHFFFAOYSA-N
SMILES:
OC(C(=O)O)C1CCC(CC1)C(F)(F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.195g/mol
Monoisotopic Mass:
226.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties