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74164-55-9 | Hexanoic acid, 2-(trifluoromethyl)-, (R)-
CAS No: 74164-55-9 Catalog No: AG005DVI MDL No:
Product Description
Catalog Number:
AG005DVI
Chemical Name:
Hexanoic acid, 2-(trifluoromethyl)-, (R)-
CAS Number:
74164-55-9
Molecular Formula:
C7H11F3O2
Molecular Weight:
184.1562
IUPAC Name:
(2R)-2-(trifluoromethyl)hexanoic acid
InChI:
InChI=1S/C7H11F3O2/c1-2-3-4-5(6(11)12)7(8,9)10/h5H,2-4H2,1H3,(H,11,12)/t5-/m1/s1
InChI Key:
BNPZSCCCDNKDPT-RXMQYKEDSA-N
SMILES:
CCCC[C@@H](C(F)(F)F)C(=O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.158g/mol
Monoisotopic Mass:
184.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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