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4554-30-7 | arecoline methiodide
CAS No: 4554-30-7 Catalog No: AG00DOJM MDL No:
Product Description
Catalog Number:
AG00DOJM
Chemical Name:
arecoline methiodide
CAS Number:
4554-30-7
IUPAC Name:
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide
InChI:
InChI=1S/C9H16NO2.HI/c1-10(2)6-4-5-8(7-10)9(11)12-3;/h5H,4,6-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
WXJOLIZPHGZZKX-UHFFFAOYSA-M
NSC Number:
170450
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.136g/mol
Monoisotopic Mass:
297.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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