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192650-26-3 | Pentanoic acid, 5-[[4-(3,5-dioxohexyl)phenyl]amino]-5-oxo-
CAS No: 192650-26-3 Catalog No: AG002G61 MDL No:
Product Description
Catalog Number:
AG002G61
Chemical Name:
Pentanoic acid, 5-[[4-(3,5-dioxohexyl)phenyl]amino]-5-oxo-
CAS Number:
192650-26-3
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
IUPAC Name:
5-[4-(3,5-dioxohexyl)anilino]-5-oxopentanoic acid
InChI:
InChI=1S/C17H21NO5/c1-12(19)11-15(20)10-7-13-5-8-14(9-6-13)18-16(21)3-2-4-17(22)23/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,21)(H,22,23)
InChI Key:
KWUITAARNKUOMJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)Nc1ccc(cc1)CCC(=O)CC(=O)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.357g/mol
Monoisotopic Mass:
319.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Direct observation of an enamine intermediate in amine catalysis. | Journal of the American Chemical Society 20091230 |
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