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2891-59-0 | Benzo[g]pteridine-2,4(1H,3H)-dione, 3-methyl-
CAS No: 2891-59-0 Catalog No: AG002X1W MDL No:
Product Description
Catalog Number:
AG002X1W
Chemical Name:
Benzo[g]pteridine-2,4(1H,3H)-dione, 3-methyl-
CAS Number:
2891-59-0
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
IUPAC Name:
3-methyl-1H-benzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C11H8N4O2/c1-15-10(16)8-9(14-11(15)17)13-7-5-3-2-4-6(7)12-8/h2-5H,1H3,(H,13,14,17)
InChI Key:
YUZCNGXOZXEJJS-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c(c1=O)nc1c(n2)cccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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