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88100-63-4 | Heptanoic acid, 2-acetyl-2-fluoro-5-oxo-, ethyl ester
CAS No: 88100-63-4 Catalog No: AG004G7Y MDL No:
Product Description
Catalog Number:
AG004G7Y
Chemical Name:
Heptanoic acid, 2-acetyl-2-fluoro-5-oxo-, ethyl ester
CAS Number:
88100-63-4
Molecular Formula:
C11H17FO4
Molecular Weight:
232.2487
IUPAC Name:
ethyl 2-acetyl-2-fluoro-5-oxoheptanoate
InChI:
InChI=1S/C11H17FO4/c1-4-9(14)6-7-11(12,8(3)13)10(15)16-5-2/h4-7H2,1-3H3
InChI Key:
PSIYKEJQZQXOSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CCC(=O)CC)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.251g/mol
Monoisotopic Mass:
232.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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