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85514-41-6 | ferruginine methiodide
CAS No: 85514-41-6 Catalog No: AG00GQ8R MDL No:
Product Description
Catalog Number:
AG00GQ8R
Chemical Name:
ferruginine methiodide
CAS Number:
85514-41-6
IUPAC Name:
1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-2-en-2-yl)ethanone;iodide
InChI:
InChI=1S/C11H18NO.HI/c1-8(13)10-6-4-9-5-7-11(10)12(9,2)3;/h6,9,11H,4-5,7H2,1-3H3;1H/q+1;/p-1
InChI Key:
YMCWVLCMWUSSQD-UHFFFAOYSA-M
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.175g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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