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20938-53-8 | 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-
CAS No: 20938-53-8 Catalog No: AG002K7K MDL No:
Product Description
Catalog Number:
AG002K7K
Chemical Name:
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-
CAS Number:
20938-53-8
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-16(21)18(9-12)23-2/h4-5,9-11,15,21-22H,6-8H2,1-3H3
InChI Key:
RUPUUZZJJXCDHS-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(C(c2cc1O)Cc1ccc(c(c1)OC)O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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