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72498-23-8 | (6aS)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline 6-oxide
CAS No: 72498-23-8 Catalog No: AG00FK5Y MDL No:
Product Description
Catalog Number:
AG00FK5Y
Chemical Name:
(6aS)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline 6-oxide
CAS Number:
72498-23-8
IUPAC Name:
(6aS)-1,2,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
InChI:
InChI=1S/C21H25NO5/c1-22(23)7-6-12-9-18(26-4)21(27-5)20-14-11-17(25-3)16(24-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-,22?/m0/s1
InChI Key:
MSASNZOEWLALSO-UEDXYCIISA-N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.433g/mol
Monoisotopic Mass:
371.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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