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137235-84-8 | 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-7-(2-methylpropyl)-
CAS No: 137235-84-8 Catalog No: AG0012ZU MDL No:
Product Description
Catalog Number:
AG0012ZU
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-7-(2-methylpropyl)-
CAS Number:
137235-84-8
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
IUPAC Name:
1-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione
InChI:
InChI=1S/C10H14N4O2/c1-6(2)4-14-5-11-8-7(14)9(15)13(3)10(16)12-8/h5-6H,4H2,1-3H3,(H,12,16)
InChI Key:
VCBURIAVUSLZHM-UHFFFAOYSA-N
SMILES:
CC(Cn1cnc2c1c(=O)n(c(=O)[nH]2)C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.248g/mol
Monoisotopic Mass:
222.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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