Home Other Building Blocks Pentanoic acid, 3-(trifluoromethyl)-

Pentanoic acid, 3-(trifluoromethyl)-

CAS No.:
115619-30-2
Catalog Number:
AG00HD13
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
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Product Description
Catalog Number:
AG00HD13
Chemical Name:
Pentanoic acid, 3-(trifluoromethyl)-
CAS Number:
115619-30-2
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
MDL Number:
MFCD20645428
IUPAC Name:
3-(trifluoromethyl)pentanoic acid
InChI:
InChI=1S/C6H9F3O2/c1-2-4(3-5(10)11)6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
UWBFKJIVHZZGHM-UHFFFAOYSA-N
SMILES:
CCC(C(F)(F)F)CC(=O)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties