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827017-59-4 | Benzo[g]pteridine-2,4(1H,3H)-dione, trimethyl-
CAS No: 827017-59-4 Catalog No: AG004WJ8 MDL No:
Product Description
Catalog Number:
AG004WJ8
Chemical Name:
Benzo[g]pteridine-2,4(1H,3H)-dione, trimethyl-
CAS Number:
827017-59-4
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
1,3,6-trimethylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C13H12N4O2/c1-7-5-4-6-8-9(7)15-10-11(14-8)16(2)13(19)17(3)12(10)18/h4-6H,1-3H3
InChI Key:
LKTOTSLYXVCMBJ-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc1c(n2)n(C)c(=O)n(c1=O)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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