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19524-64-2 | 6,7,-dihydroxy-2-oxo-2H-1-benzopyran-4-methanesulphonic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1
CAS No: 19524-64-2 Catalog No: AG00AL5H MDL No:
Product Description
Catalog Number:
AG00AL5H
Chemical Name:
6,7,-dihydroxy-2-oxo-2H-1-benzopyran-4-methanesulphonic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1
CAS Number:
19524-64-2
IUPAC Name:
(6,7-dihydroxy-2-oxochromen-4-yl) methanesulfonate;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
InChI:
InChI=1S/C20H21NO4.C10H8O7S/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;1-18(14,15)17-9-4-10(13)16-8-3-7(12)6(11)2-5(8)9/h5-8,10-12H,9H2,1-4H3;2-4,11-12H,1H3
InChI Key:
JWIOHADFDHXRQJ-UHFFFAOYSA-N
EC Number:
243-131-0
Properties
Complexity:
882
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
611.146g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
611.618g/mol
Monoisotopic Mass:
611.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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