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Home > Fluorides > 142134-09-6
142134-09-6 | Heptanoic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester, (3S)-
CAS No: 142134-09-6 Catalog No: AG001HU0 MDL No:
Product Description
Catalog Number:
AG001HU0
Chemical Name:
Heptanoic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester, (3S)-
CAS Number:
142134-09-6
Molecular Formula:
C9H15F3O3
Molecular Weight:
228.2088
IUPAC Name:
methyl (3S)-3-hydroxy-3-(trifluoromethyl)heptanoate
InChI:
InChI=1S/C9H15F3O3/c1-3-4-5-8(14,9(10,11)12)6-7(13)15-2/h14H,3-6H2,1-2H3/t8-/m0/s1
InChI Key:
WVZMDWDPKPNFSV-QMMMGPOBSA-N
SMILES:
CCCC[C@@](C(F)(F)F)(CC(=O)OC)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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