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68711-44-4 | (6aS)-5,6,6a,7-Tetrahydro-1,2,11-trimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium
CAS No: 68711-44-4 Catalog No: AG00FK5X MDL No:
Product Description
Catalog Number:
AG00FK5X
Chemical Name:
(6aS)-5,6,6a,7-Tetrahydro-1,2,11-trimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium
CAS Number:
68711-44-4
IUPAC Name:
(6aS)-1,2,11-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
InChI:
InChI=1S/C21H26NO3/c1-22(2)10-9-14-12-17(24-4)21(25-5)20-18(14)15(22)11-13-7-6-8-16(23-3)19(13)20/h6-8,12,15H,9-11H2,1-5H3/q+1/t15-/m0/s1
InChI Key:
PJMREESVDOVRFB-HNNXBMFYSA-N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
340.191g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.443g/mol
Monoisotopic Mass:
340.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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