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3621-38-3 | 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CAS No: 3621-38-3 Catalog No: AG00BY35 MDL No:MFCD01310242
Product Description
Catalog Number:
AG00BY35
Chemical Name:
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CAS Number:
3621-38-3
Molecular Formula:
C20H20NO4+
Molecular Weight:
338.3771
MDL Number:
MFCD01310242
IUPAC Name:
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
InChI:
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChI Key:
MXTLAHSTUOXGQF-UHFFFAOYSA-O
SMILES:
COc1cc2c(cc1O)CC[n+]1c2cc2ccc(c(c2c1)OC)OC
EC Number:
222-817-3
UNII:
091S1F8V5Q
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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