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89318-08-1 | Pyrimidinium, 5-(ethoxycarbonyl)-1,2,4,6-tetramethyl-, iodide
CAS No: 89318-08-1 Catalog No: AG0086Z8 MDL No:
Product Description
Catalog Number:
AG0086Z8
Chemical Name:
Pyrimidinium, 5-(ethoxycarbonyl)-1,2,4,6-tetramethyl-, iodide
CAS Number:
89318-08-1
Molecular Formula:
C11H17IN2O2
Molecular Weight:
336.1693
IUPAC Name:
ethyl 1,2,4,6-tetramethylpyrimidin-1-ium-5-carboxylate;iodide
InChI:
InChI=1S/C11H17N2O2.HI/c1-6-15-11(14)10-7(2)12-9(4)13(5)8(10)3;/h6H2,1-5H3;1H/q+1;/p-1
InChI Key:
LNYFKIJCZWCFNI-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1c(C)nc([n+](c1C)C)C.[I-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.173g/mol
Monoisotopic Mass:
336.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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