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116158-99-7 | Benzo[g]pteridine-2,4(3H,10H)-dione, 10-ethyl-8-methoxy-
CAS No: 116158-99-7 Catalog No: AG000BRJ MDL No:
Product Description
Catalog Number:
AG000BRJ
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 10-ethyl-8-methoxy-
CAS Number:
116158-99-7
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
IUPAC Name:
10-ethyl-8-methoxybenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C13H12N4O3/c1-3-17-9-6-7(20-2)4-5-8(9)14-10-11(17)15-13(19)16-12(10)18/h4-6H,3H2,1-2H3,(H,16,18,19)
InChI Key:
CJKCSXTZAMQARP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(CC)c1c(n2)c(=O)[nH]c(=O)n1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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