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Home > Other Building Blocks > 89418-23-5
89418-23-5 | 1H-Purine-6,8-dione,7,9-dihydro-2-methyl-
CAS No: 89418-23-5 Catalog No: AG0043PH MDL No:
Product Description
Catalog Number:
AG0043PH
Chemical Name:
1H-Purine-6,8-dione,7,9-dihydro-2-methyl-
CAS Number:
89418-23-5
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
2-methyl-7,9-dihydro-1H-purine-6,8-dione
InChI:
InChI=1S/C6H6N4O2/c1-2-7-4-3(5(11)8-2)9-6(12)10-4/h1H3,(H3,7,8,9,10,11,12)
InChI Key:
ACPZUZJHTODVEO-UHFFFAOYSA-N
SMILES:
Cc1nc(=O)c2c([nH]1)[nH]c(=O)[nH]2
NSC Number:
25257
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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