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21411-21-2 | 3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-Methoxyphenyl)Methyl]-6-Methoxy-2-MethylisoquinoliniuM Iodide
CAS No: 21411-21-2 Catalog No: AG00C2U8 MDL No:
Product Description
Catalog Number:
AG00C2U8
Chemical Name:
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-Methoxyphenyl)Methyl]-6-Methoxy-2-MethylisoquinoliniuM Iodide
CAS Number:
21411-21-2
IUPAC Name:
1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol;iodide
InChI:
InChI=1S/C19H21NO4.HI/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12;/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22);1H
InChI Key:
UKZNQWRHVOGFFY-UHFFFAOYSA-N
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.292g/mol
Monoisotopic Mass:
455.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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