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200571-38-6 | 3-Pyridinepentanoic acid, δ-oxo-β-3-pyridinyl-, ethyl ester
CAS No: 200571-38-6 Catalog No: AG002CUM MDL No:
Product Description
Catalog Number:
AG002CUM
Chemical Name:
3-Pyridinepentanoic acid, δ-oxo-β-3-pyridinyl-, ethyl ester
CAS Number:
200571-38-6
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
IUPAC Name:
ethyl 5-oxo-3,5-dipyridin-3-ylpentanoate
InChI:
InChI=1S/C17H18N2O3/c1-2-22-17(21)10-15(13-5-3-7-18-11-13)9-16(20)14-6-4-8-19-12-14/h3-8,11-12,15H,2,9-10H2,1H3
InChI Key:
ZRRJHIINHYHDCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1cccnc1)CC(=O)c1cccnc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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