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90703-17-6 | 1H-Purinium, 1,3-dimethyl-, iodide
CAS No: 90703-17-6 Catalog No: AG006B2C MDL No:
Product Description
Catalog Number:
AG006B2C
Chemical Name:
1H-Purinium, 1,3-dimethyl-, iodide
CAS Number:
90703-17-6
Molecular Formula:
C7H11IN4
Molecular Weight:
278.0935
IUPAC Name:
1,3-dimethyl-1,2-dihydropurin-1-ium;iodide
InChI:
InChI=1S/C7H10N4.HI/c1-10-3-6-7(9-4-8-6)11(2)5-10;/h3-4H,5H2,1-2H3;1H
InChI Key:
GQQPZBAMNXDEFL-UHFFFAOYSA-N
SMILES:
CN1C[NH+](C)C=C2C1=NC=N2.[I-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.097g/mol
Monoisotopic Mass:
278.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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