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1678-15-5 | 1,3,5-Pentanetrione, 1,5-di-3-pyridyl- (7CI,8CI)
CAS No: 1678-15-5 Catalog No: AG001XLW MDL No:
Product Description
Catalog Number:
AG001XLW
Chemical Name:
1,3,5-Pentanetrione, 1,5-di-3-pyridyl- (7CI,8CI)
CAS Number:
1678-15-5
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
1,5-dipyridin-3-ylpentane-1,3,5-trione
InChI:
InChI=1S/C15H12N2O3/c18-13(7-14(19)11-3-1-5-16-9-11)8-15(20)12-4-2-6-17-10-12/h1-6,9-10H,7-8H2
InChI Key:
UWROYQOATHNUEE-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1cccnc1)CC(=O)c1cccnc1
NSC Number:
80264
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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