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13207-96-0 | Pyrimidinium, 2,3-dihydro-1,3-dimethyl-2-oxo-, iodide (1:1)
CAS No: 13207-96-0 Catalog No: AG00105L MDL No:
Product Description
Catalog Number:
AG00105L
Chemical Name:
Pyrimidinium, 2,3-dihydro-1,3-dimethyl-2-oxo-, iodide (1:1)
CAS Number:
13207-96-0
Molecular Formula:
C6H9IN2O
Molecular Weight:
252.0529
IUPAC Name:
1,3-dimethylpyrimidin-1-ium-2-one;iodide
InChI:
InChI=1S/C6H9N2O.HI/c1-7-4-3-5-8(2)6(7)9;/h3-5H,1-2H3;1H/q+1;/p-1
InChI Key:
XAEGCHZJNBJBIX-UHFFFAOYSA-M
SMILES:
Cn1ccc[n+](c1=O)C.[I-]
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.055g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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