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84869-38-5 | Benzo[g]pteridine-7-carboxylicacid, 1,2,3,4-tetrahydro-8-methyl-2,4-dioxo-
CAS No: 84869-38-5 Catalog No: AG004MLW MDL No:
Product Description
Catalog Number:
AG004MLW
Chemical Name:
Benzo[g]pteridine-7-carboxylicacid, 1,2,3,4-tetrahydro-8-methyl-2,4-dioxo-
CAS Number:
84869-38-5
Molecular Formula:
C12H8N4O4
Molecular Weight:
272.2163
IUPAC Name:
8-methyl-2,4-dioxo-1H-benzo[g]pteridine-7-carboxylic acid
InChI:
InChI=1S/C12H8N4O4/c1-4-2-6-7(3-5(4)11(18)19)13-8-9(14-6)15-12(20)16-10(8)17/h2-3H,1H3,(H,18,19)(H2,14,15,16,17,20)
InChI Key:
BUKILAJXCZPPQT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)nc1c(n2)cc(c(c1)C)C(=O)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.22g/mol
Monoisotopic Mass:
272.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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