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377733-24-9 | 1-(3,4-diMethoxybenzyl)-3-ethoxycarbonyl-6,7-diMethoxyisoquinoline
CAS No: 377733-24-9 Catalog No: AG00CJKS MDL No:
Product Description
Catalog Number:
AG00CJKS
Chemical Name:
1-(3,4-diMethoxybenzyl)-3-ethoxycarbonyl-6,7-diMethoxyisoquinoline
CAS Number:
377733-24-9
IUPAC Name:
ethyl 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-3-carboxylate
InChI:
InChI=1S/C23H25NO6/c1-6-30-23(25)18-11-15-12-21(28-4)22(29-5)13-16(15)17(24-18)9-14-7-8-19(26-2)20(10-14)27-3/h7-8,10-13H,6,9H2,1-5H3
InChI Key:
SRSPOGFFSQMYNW-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.168g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.454g/mol
Monoisotopic Mass:
411.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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