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113021-57-1 | Isoquinoline, 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-1-methyl-
CAS No: 113021-57-1 Catalog No: AG00788P MDL No:
Product Description
Catalog Number:
AG00788P
Chemical Name:
Isoquinoline, 3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-1-methyl-
CAS Number:
113021-57-1
Molecular Formula:
C21H23NO5
Molecular Weight:
369.4110
IUPAC Name:
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-1-methylisoquinoline
InChI:
InChI=1S/C21H23NO5/c1-12-19-14(11-18(25-4)20(26-5)21(19)27-6)9-15(22-12)13-7-8-16(23-2)17(10-13)24-3/h7-11H,1-6H3
InChI Key:
LUFWPKMGRFNCKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1nc(C)c2c(c1)cc(c(c2OC)OC)OC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.417g/mol
Monoisotopic Mass:
369.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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