Home Other Building Blocks 5,5,5-TRIFLUORO-4-OXOPENTANOIC ACID

5,5,5-TRIFLUORO-4-OXOPENTANOIC ACID

CAS No.:
684-76-4
Catalog Number:
AG00FCW8
Molecular Formula:
C5H5F3O3
Molecular Weight:
170.0866
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Product Description
Catalog Number:
AG00FCW8
Chemical Name:
5,5,5-TRIFLUORO-4-OXOPENTANOIC ACID
CAS Number:
684-76-4
Molecular Formula:
C5H5F3O3
Molecular Weight:
170.0866
MDL Number:
MFCD07779786
IUPAC Name:
5,5,5-trifluoro-4-oxopentanoic acid
InChI:
InChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-2H2,(H,10,11)
InChI Key:
JUYJVMZMNMXMCE-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CCC(=O)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.087g/mol
Monoisotopic Mass:
170.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties