Home Other Building Blocks 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid

4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid

CAS No.:
1716-77-4
Catalog Number:
AG019K93
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
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Product Description
Catalog Number:
AG019K93
Chemical Name:
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CAS Number:
1716-77-4
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD00990969
IUPAC Name:
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
InChI:
InChI=1S/C10H9F3O3/c11-10(12,13)9(16,6-8(14)15)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,14,15)
InChI Key:
YWGWRGLPYNFJRQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)(c1ccccc1)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties