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202534-94-9 | 3-Piperidinecarboxylic acid, 4-(4-fluorophenyl)-1-methyl-2,6-dioxo-, ethyl ester
CAS No: 202534-94-9 Catalog No: AG0028AO MDL No:
Product Description
Catalog Number:
AG0028AO
Chemical Name:
3-Piperidinecarboxylic acid, 4-(4-fluorophenyl)-1-methyl-2,6-dioxo-, ethyl ester
CAS Number:
202534-94-9
Molecular Formula:
C15H16FNO4
Molecular Weight:
293.2902
IUPAC Name:
ethyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
InChI:
InChI=1S/C15H16FNO4/c1-3-21-15(20)13-11(8-12(18)17(2)14(13)19)9-4-6-10(16)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChI Key:
VLLPYAIUEKEIRQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)N(C)C(=O)CC1c1ccc(cc1)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.294g/mol
Monoisotopic Mass:
293.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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