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Home > Fluorides > 126957-44-6
126957-44-6 | Pentanoic acid, 2-fluoro-4-methyl-, (2S)-
CAS No: 126957-44-6 Catalog No: AG000WH2 MDL No:
Product Description
Catalog Number:
AG000WH2
Chemical Name:
Pentanoic acid, 2-fluoro-4-methyl-, (2S)-
CAS Number:
126957-44-6
Molecular Formula:
C6H11FO2
Molecular Weight:
134.1487
IUPAC Name:
(2S)-2-fluoro-4-methylpentanoic acid
InChI:
InChI=1S/C6H11FO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChI Key:
XJSHQHONRQJNKY-YFKPBYRVSA-N
SMILES:
F[C@H](C(=O)O)CC(C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
134.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.15g/mol
Monoisotopic Mass:
134.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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