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13325-57-0 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-
CAS No: 13325-57-0 Catalog No: AG0014H0 MDL No:
Product Description
Catalog Number:
AG0014H0
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-
CAS Number:
13325-57-0
Molecular Formula:
C18H10N4O5
Molecular Weight:
362.2958
IUPAC Name:
5-[(9,10-dioxoanthracen-1-yl)diazenyl]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C18H10N4O5/c23-14-8-4-1-2-5-9(8)15(24)12-10(14)6-3-7-11(12)21-22-13-16(25)19-18(27)20-17(13)26/h1-7,13H,(H2,19,20,25,26,27)
InChI Key:
MBOXEZSDSMZDMX-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(=O)N1)N=Nc1cccc2c1C(=O)c1c(C2=O)cccc1
EC Number:
236-366-5
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.065g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.301g/mol
Monoisotopic Mass:
362.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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