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Home > Other Building Blocks > 125573-05-9
125573-05-9 | 1H-Purine-2,6-dione, 3-ethyl-3,9-dihydro-1-methyl-
CAS No: 125573-05-9 Catalog No: AG000NWQ MDL No:
Product Description
Catalog Number:
AG000NWQ
Chemical Name:
1H-Purine-2,6-dione, 3-ethyl-3,9-dihydro-1-methyl-
CAS Number:
125573-05-9
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
3-ethyl-1-methyl-7H-purine-2,6-dione
InChI:
InChI=1S/C8H10N4O2/c1-3-12-6-5(9-4-10-6)7(13)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10)
InChI Key:
JUZUUEGSTBASHX-UHFFFAOYSA-N
SMILES:
CCn1c(=O)n(C)c(=O)c2c1[nH]cn2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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