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88100-71-4 | Pentanoic acid, 2-acetyl-2-fluoro-5-oxo-, ethyl ester
CAS No: 88100-71-4 Catalog No: AG004EGN MDL No:
Product Description
Catalog Number:
AG004EGN
Chemical Name:
Pentanoic acid, 2-acetyl-2-fluoro-5-oxo-, ethyl ester
CAS Number:
88100-71-4
Molecular Formula:
C9H13FO4
Molecular Weight:
204.1955
IUPAC Name:
ethyl 2-acetyl-2-fluoro-5-oxopentanoate
InChI:
InChI=1S/C9H13FO4/c1-3-14-8(13)9(10,7(2)12)5-4-6-11/h6H,3-5H2,1-2H3
InChI Key:
QWUALODRIXAQPL-UHFFFAOYSA-N
SMILES:
O=CCCC(C(=O)OCC)(C(=O)C)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.197g/mol
Monoisotopic Mass:
204.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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