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21079-31-2 | Benzo[g]pteridine-10(2H)-acetic acid, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-
CAS No: 21079-31-2 Catalog No: AG002KYL MDL No:
Product Description
Catalog Number:
AG002KYL
Chemical Name:
Benzo[g]pteridine-10(2H)-acetic acid, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-
CAS Number:
21079-31-2
Molecular Formula:
C14H12N4O4
Molecular Weight:
300.2695
IUPAC Name:
2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)acetic acid
InChI:
InChI=1S/C14H12N4O4/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12/h3-4H,5H2,1-2H3,(H,19,20)(H,17,21,22)
InChI Key:
KDXDAXTZMKMJOW-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.274g/mol
Monoisotopic Mass:
300.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Photoirradiation products of flavin derivatives, and the effects of photooxidation on guanine. | Bioorganic & medicinal chemistry letters 20090401 |
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