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19716-24-6 | 2H-Purin-2-one, 3,9-dihydro-8-iodo-
CAS No: 19716-24-6 Catalog No: AG002AN8 MDL No:
Product Description
Catalog Number:
AG002AN8
Chemical Name:
2H-Purin-2-one, 3,9-dihydro-8-iodo-
CAS Number:
19716-24-6
Molecular Formula:
C5H3IN4O
Molecular Weight:
262.0080
IUPAC Name:
8-iodo-3,7-dihydropurin-2-one
InChI:
InChI=1S/C5H3IN4O/c6-4-8-2-1-7-5(11)10-3(2)9-4/h1H,(H2,7,8,9,10,11)
InChI Key:
DGIDEVXCISWSNP-UHFFFAOYSA-N
SMILES:
Ic1nc2c([nH]1)[nH]c(=O)nc2
NSC Number:
112398
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.935g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.01g/mol
Monoisotopic Mass:
261.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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