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16176-68-4 | Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-
CAS No: 16176-68-4 Catalog No: AG001VVP MDL No:
Product Description
Catalog Number:
AG001VVP
Chemical Name:
Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-
CAS Number:
16176-68-4
Molecular Formula:
C20H20NO4+
Molecular Weight:
338.3771
IUPAC Name:
2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
InChI:
InChI=1S/C20H19NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,8-11H,6-7H2,1-3H3/p+1
InChI Key:
QBUIDYLGKMWNEA-UHFFFAOYSA-O
SMILES:
COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(O)c(cc1)OC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.139g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.383g/mol
Monoisotopic Mass:
338.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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