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88176-09-4 | 1,3-Cyclohexanedione, 5-(6-fluoro-2,3,4-trimethylphenyl)-2-(1-oxobutyl)-
CAS No: 88176-09-4 Catalog No: AG004CN3 MDL No:
Product Description
Catalog Number:
AG004CN3
Chemical Name:
1,3-Cyclohexanedione, 5-(6-fluoro-2,3,4-trimethylphenyl)-2-(1-oxobutyl)-
CAS Number:
88176-09-4
Molecular Formula:
C19H23FO3
Molecular Weight:
318.3825
IUPAC Name:
2-butanoyl-5-(6-fluoro-2,3,4-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C19H23FO3/c1-5-6-15(21)19-16(22)8-13(9-17(19)23)18-12(4)11(3)10(2)7-14(18)20/h7,13,19H,5-6,8-9H2,1-4H3
InChI Key:
VKTIADOITHNSBW-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1C(=O)CC(CC1=O)c1c(F)cc(c(c1C)C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.388g/mol
Monoisotopic Mass:
318.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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