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Home > Fluorides > 122549-26-2
122549-26-2 | Pentanoic acid, 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxo-, methyl ester
CAS No: 122549-26-2 Catalog No: AG0017GB MDL No:
Product Description
Catalog Number:
AG0017GB
Chemical Name:
Pentanoic acid, 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxo-, methyl ester
CAS Number:
122549-26-2
Molecular Formula:
C14H15FO3
Molecular Weight:
250.2655
IUPAC Name:
methyl 2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoate
InChI:
InChI=1S/C14H15FO3/c1-9(2)13(16)12(14(17)18-3)8-10-4-6-11(15)7-5-10/h4-9H,1-3H3
InChI Key:
YDAOZDSGRPENAG-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccc(cc1)F)C(=O)C(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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