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85609-86-5 | 1H-Purine-2,6-dione, 8-diazo-3,8-dihydro-1,3-dimethyl-
CAS No: 85609-86-5 Catalog No: AG004Q9K MDL No:
Product Description
Catalog Number:
AG004Q9K
Chemical Name:
1H-Purine-2,6-dione, 8-diazo-3,8-dihydro-1,3-dimethyl-
CAS Number:
85609-86-5
Molecular Formula:
C7H6N6O2
Molecular Weight:
206.1615
IUPAC Name:
8-diazonio-1,3-dimethyl-2-oxopurin-6-olate
InChI:
InChI=1S/C7H6N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h1-2H3
InChI Key:
BBATZFPQUWGHHL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=c1nc2c(n1)c(=O)n(c(=O)n2C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.165g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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