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122188-09-4 | Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-3,10-dinonyl-
CAS No: 122188-09-4 Catalog No: AG0016WP MDL No:
Product Description
Catalog Number:
AG0016WP
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-3,10-dinonyl-
CAS Number:
122188-09-4
Molecular Formula:
C30H46N4O2
Molecular Weight:
494.7118
IUPAC Name:
7,8-dimethyl-3,10-di(nonyl)benzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C30H46N4O2/c1-5-7-9-11-13-15-17-19-33-26-22-24(4)23(3)21-25(26)31-27-28(33)32-30(36)34(29(27)35)20-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChI Key:
MMQCKUZHIKZPHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCn1c(=O)nc2c(c1=O)nc1c(n2CCCCCCCCC)cc(c(c1)C)C
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.362g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.724g/mol
Monoisotopic Mass:
494.362g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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