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870007-33-3 | 2,4-Pentanedione, 3,3'-[2,3-quinoxalinediylbis(methylene)]bis-
CAS No: 870007-33-3 Catalog No: AG004NRQ MDL No:
Product Description
Catalog Number:
AG004NRQ
Chemical Name:
2,4-Pentanedione, 3,3'-[2,3-quinoxalinediylbis(methylene)]bis-
CAS Number:
870007-33-3
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
3-[[3-(2-acetyl-3-oxobutyl)quinoxalin-2-yl]methyl]pentane-2,4-dione
InChI:
InChI=1S/C20H22N2O4/c1-11(23)15(12(2)24)9-19-20(10-16(13(3)25)14(4)26)22-18-8-6-5-7-17(18)21-19/h5-8,15-16H,9-10H2,1-4H3
InChI Key:
KDGMXUKRSWCCSW-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)Cc1nc2ccccc2nc1CC(C(=O)C)C(=O)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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