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16713-59-0 | Benzo[g]pteridine-2,4(1H,3H)-dione, 5,10-dihydro-7,8-dimethyl-
CAS No: 16713-59-0 Catalog No: AG001X5A MDL No:
Product Description
Catalog Number:
AG001X5A
Chemical Name:
Benzo[g]pteridine-2,4(1H,3H)-dione, 5,10-dihydro-7,8-dimethyl-
CAS Number:
16713-59-0
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
IUPAC Name:
7,8-dimethyl-5,10-dihydro-1H-benzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C12H12N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4,13H,1-2H3,(H3,14,15,16,17,18)
InChI Key:
USIFYIANMTUHMT-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]c3c([nH]c2cc1C)[nH]c(=O)[nH]c3=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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