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1231958-59-0 | 1-[(2-methoxy-2-oxoethyl)(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1231958-59-0 Catalog No: AG019QR4 MDL No:MFCD11099739
Product Description
Catalog Number:
AG019QR4
Chemical Name:
1-[(2-methoxy-2-oxoethyl)(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231958-59-0
Molecular Formula:
C9H14IN3O3
Molecular Weight:
339.1302
MDL Number:
MFCD11099739
IUPAC Name:
methyl 2-[methyl-(3-methylimidazol-3-ium-1-carbonyl)amino]acetate;iodide
InChI:
InChI=1S/C9H14N3O3.HI/c1-10-4-5-12(7-10)9(14)11(2)6-8(13)15-3;/h4-5,7H,6H2,1-3H3;1H/q+1;/p-1
InChI Key:
UXVOBCVNFAGLGM-UHFFFAOYSA-M
SMILES:
COC(=O)CN(C(=O)n1cc[n+](c1)C)C.[I-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.133g/mol
Monoisotopic Mass:
339.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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