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76350-75-9 | Pentanedioic acid, 2,4-diacetyl-3-(2-fluorophenyl)-, diethyl ester
CAS No: 76350-75-9 Catalog No: AG005DZ0 MDL No:
Product Description
Catalog Number:
AG005DZ0
Chemical Name:
Pentanedioic acid, 2,4-diacetyl-3-(2-fluorophenyl)-, diethyl ester
CAS Number:
76350-75-9
Molecular Formula:
C19H23FO6
Molecular Weight:
366.3807
IUPAC Name:
diethyl 2,4-diacetyl-3-(2-fluorophenyl)pentanedioate
InChI:
InChI=1S/C19H23FO6/c1-5-25-18(23)15(11(3)21)17(13-9-7-8-10-14(13)20)16(12(4)22)19(24)26-6-2/h7-10,15-17H,5-6H2,1-4H3
InChI Key:
ZOQVWVDSNLCASY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1F)C(C(=O)OCC)C(=O)C)C(=O)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.385g/mol
Monoisotopic Mass:
366.148g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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