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1748-09-0 | nicotinic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1
CAS No: 1748-09-0 Catalog No: AG00AL3R MDL No:
Product Description
Catalog Number:
AG00AL3R
Chemical Name:
nicotinic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1
CAS Number:
1748-09-0
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;pyridine-3-carboxylic acid
InChI:
InChI=1S/C20H21NO4.C6H5NO2/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;8-6(9)5-2-1-3-7-4-5/h5-8,10-12H,9H2,1-4H3;1-4H,(H,8,9)
InChI Key:
NPAQBIPXGQGMRE-UHFFFAOYSA-N
EC Number:
217-132-1
UNII:
RI79900B09
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.179g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.502g/mol
Monoisotopic Mass:
462.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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