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18950-64-6 | Benzo[g]pteridine-2,4(1H,3H)-dione, 1,7,8-trimethyl-
CAS No: 18950-64-6 Catalog No: AG002DPF MDL No:
Product Description
Catalog Number:
AG002DPF
Chemical Name:
Benzo[g]pteridine-2,4(1H,3H)-dione, 1,7,8-trimethyl-
CAS Number:
18950-64-6
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
1,7,8-trimethylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)15-11-10(14-8)12(18)16-13(19)17(11)3/h4-5H,1-3H3,(H,16,18,19)
InChI Key:
JMJYJUDFYYXGBX-UHFFFAOYSA-N
SMILES:
Cc1cc2nc3c(=O)[nH]c(=O)n(c3nc2cc1C)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:
1
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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