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122629-20-3 | octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
CAS No: 122629-20-3 Catalog No: AG00A69A MDL No:
Product Description
Catalog Number:
AG00A69A
Chemical Name:
octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
CAS Number:
122629-20-3
IUPAC Name:
(4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one;iodomethane
InChI:
InChI=1S/C10H17NO.CH3I/c1-11-6-5-9-8(7-11)3-2-4-10(9)12;1-2/h8-9H,2-7H2,1H3;1H3/t8-,9-;/m1./s1
InChI Key:
GRLWEFQPKDRHFC-VTLYIQCISA-N
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.191g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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