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35989-93-6 | Isoquinoline, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-
CAS No: 35989-93-6 Catalog No: AG007CWE MDL No:
Product Description
Catalog Number:
AG007CWE
Chemical Name:
Isoquinoline, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-
CAS Number:
35989-93-6
Molecular Formula:
C20H21NO4
Molecular Weight:
339.3850
IUPAC Name:
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methylisoquinoline
InChI:
InChI=1S/C20H21NO4/c1-12-15-11-20(25-5)19(24-4)10-14(15)8-16(21-12)13-6-7-17(22-2)18(9-13)23-3/h6-11H,1-5H3
InChI Key:
PIHFLCZIKJMZFE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1nc(C)c2c(c1)cc(c(c2)OC)OC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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