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30709-21-8 | 6H-Purinium, 1,7-dihydro-7,9-dimethyl-6-oxo-, iodide (1:1)
CAS No: 30709-21-8 Catalog No: AG00311Y MDL No:
Product Description
Catalog Number:
AG00311Y
Chemical Name:
6H-Purinium, 1,7-dihydro-7,9-dimethyl-6-oxo-, iodide (1:1)
CAS Number:
30709-21-8
Molecular Formula:
C7H11IN4O
Molecular Weight:
294.0929
IUPAC Name:
7,9-dimethyl-1,8-dihydropurin-1-ium-6-one;iodide
InChI:
InChI=1S/C7H10N4O.HI/c1-10-4-11(2)6-5(10)7(12)9-3-8-6;/h3H,4H2,1-2H3,(H,8,9,12);1H
InChI Key:
BEAPQPIEXJFPQR-UHFFFAOYSA-N
SMILES:
CN1CN(C2=C1N=C[NH2+]C2=O)C.[I-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.998g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.096g/mol
Monoisotopic Mass:
293.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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