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23542-56-5 | Benzo[g]pteridine-2,4(1H,3H)-dione, 5,10-dihydro-7,8,10-trimethyl-
CAS No: 23542-56-5 Catalog No: AG002NN3 MDL No:
Product Description
Catalog Number:
AG002NN3
Chemical Name:
Benzo[g]pteridine-2,4(1H,3H)-dione, 5,10-dihydro-7,8,10-trimethyl-
CAS Number:
23542-56-5
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
IUPAC Name:
7,8,10-trimethyl-1,5-dihydrobenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C13H14N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5,14H,1-3H3,(H2,15,16,18,19)
InChI Key:
KLWMZQCMXBUPOR-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]c3c(=O)[nH]c(=O)[nH]c3n(c2cc1C)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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