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77542-18-8 | 1-Ethyl-1-methyl-4-oxopiperidin-1-ium iodide
CAS No: 77542-18-8 Catalog No: AG005H2W MDL No:MFCD16620306
Product Description
Catalog Number:
AG005H2W
Chemical Name:
1-Ethyl-1-methyl-4-oxopiperidin-1-ium iodide
CAS Number:
77542-18-8
Molecular Formula:
C8H16INO
Molecular Weight:
269.1232
MDL Number:
MFCD16620306
IUPAC Name:
1-ethyl-1-methylpiperidin-1-ium-4-one;iodide
InChI:
InChI=1S/C8H16NO.HI/c1-3-9(2)6-4-8(10)5-7-9;/h3-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
PIDODLRGSKHQDP-UHFFFAOYSA-M
SMILES:
CC[N+]1(C)CCC(=O)CC1.[I-]
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.126g/mol
Monoisotopic Mass:
269.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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