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71256-11-6 | Benzo[g]pteridine-2,4(3H,10H)-dione, 9,10-dimethyl-
CAS No: 71256-11-6 Catalog No: AG005K18 MDL No:
Product Description
Catalog Number:
AG005K18
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 9,10-dimethyl-
CAS Number:
71256-11-6
Molecular Formula:
C12H10N4O2
Molecular Weight:
242.2334
IUPAC Name:
9,10-dimethylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C12H10N4O2/c1-6-4-3-5-7-9(6)16(2)10-8(13-7)11(17)15-12(18)14-10/h3-5H,1-2H3,(H,15,17,18)
InChI Key:
GHAWITAKRQGSSL-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c(n1)n(C)c1c(n2)cccc1C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.238g/mol
Monoisotopic Mass:
242.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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