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137505-56-7 | Heptanoic acid, 2-fluoro-2-methyl-, (2S)-
CAS No: 137505-56-7 Catalog No: AG0013E9 MDL No:
Product Description
Catalog Number:
AG0013E9
Chemical Name:
Heptanoic acid, 2-fluoro-2-methyl-, (2S)-
CAS Number:
137505-56-7
Molecular Formula:
C8H15FO2
Molecular Weight:
162.2019
IUPAC Name:
(2S)-2-fluoro-2-methylheptanoic acid
InChI:
InChI=1S/C8H15FO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6H2,1-2H3,(H,10,11)/t8-/m0/s1
InChI Key:
CMIJBPSBQPUGPK-QMMMGPOBSA-N
SMILES:
CCCCC[C@@](C(=O)O)(F)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
162.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.204g/mol
Monoisotopic Mass:
162.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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