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37933-68-9 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline, 1-sulfooxy dodecane
CAS No: 37933-68-9 Catalog No: AG00CVEW MDL No:
Product Description
Catalog Number:
AG00CVEW
Chemical Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline, 1-sulfooxy dodecane
CAS Number:
37933-68-9
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;dodecyl hydrogen sulfate
InChI:
InChI=1S/C20H21NO4.C12H26O4S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h5-8,10-12H,9H2,1-4H3;2-12H2,1H3,(H,13,14,15)
InChI Key:
VXTZBUZHTLVWHW-UHFFFAOYSA-N
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.302g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
605.787g/mol
Monoisotopic Mass:
605.302g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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