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24255-56-9 | 1H-Purine-2,6-dione,3,9-dihydro-8-iodo-1,3-dimethyl-
CAS No: 24255-56-9 Catalog No: AG006WQK MDL No:
Product Description
Catalog Number:
AG006WQK
Chemical Name:
1H-Purine-2,6-dione,3,9-dihydro-8-iodo-1,3-dimethyl-
CAS Number:
24255-56-9
Molecular Formula:
C7H7IN4O2
Molecular Weight:
306.0605
IUPAC Name:
8-iodo-1,3-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C7H7IN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChI Key:
LQDFDEBMWZCIKY-UHFFFAOYSA-N
SMILES:
Ic1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
NSC Number:
78565
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.063g/mol
Monoisotopic Mass:
305.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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