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52632-31-2 | isoarecoline methiodide
CAS No: 52632-31-2 Catalog No: AG00DZ0W MDL No:
Product Description
Catalog Number:
AG00DZ0W
Chemical Name:
isoarecoline methiodide
CAS Number:
52632-31-2
IUPAC Name:
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C9H16NO2.HI/c1-10(2)6-4-8(5-7-10)9(11)12-3;/h4H,5-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
QZESFHFVKXPYHG-UHFFFAOYSA-M
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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