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100752-86-1 | isoarecolone methiodide
CAS No: 100752-86-1 Catalog No: AG009QMM MDL No:
Product Description
Catalog Number:
AG009QMM
Chemical Name:
isoarecolone methiodide
CAS Number:
100752-86-1
IUPAC Name:
1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanone;iodide
InChI:
InChI=1S/C9H16NO.HI/c1-8(11)9-4-6-10(2,3)7-5-9;/h4H,5-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
LKJAZPPERYANQL-UHFFFAOYSA-M
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.137g/mol
Monoisotopic Mass:
281.028g/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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