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85383-79-5 | 1,3-Cyclohexanedione, 2-[1-(ethoxyamino)propylidene]-5-(3-pyridinyl)-
CAS No: 85383-79-5 Catalog No: AG004U1P MDL No:
Product Description
Catalog Number:
AG004U1P
Chemical Name:
1,3-Cyclohexanedione, 2-[1-(ethoxyamino)propylidene]-5-(3-pyridinyl)-
CAS Number:
85383-79-5
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
2-(N-ethoxy-C-ethylcarbonimidoyl)-3-hydroxy-5-pyridin-3-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C16H20N2O3/c1-3-13(18-21-4-2)16-14(19)8-12(9-15(16)20)11-6-5-7-17-10-11/h5-7,10,12,19H,3-4,8-9H2,1-2H3
InChI Key:
ALJHCEATUTVCCG-UHFFFAOYSA-N
SMILES:
CCONC(=C1C(=O)CC(CC1=O)c1cccnc1)CC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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