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897035-11-9 | 1-(1-HYDROXYNAPHTH-2-YL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 897035-11-9 Catalog No: AG0044A7 MDL No:
Product Description
Catalog Number:
AG0044A7
Chemical Name:
1-(1-HYDROXYNAPHTH-2-YL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
897035-11-9
Molecular Formula:
C21H21NO3
Molecular Weight:
335.3963
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-1-ol
InChI:
InChI=1S/C21H21NO3/c1-24-18-11-14-9-10-22-20(17(14)12-19(18)25-2)16-8-7-13-5-3-4-6-15(13)21(16)23/h3-8,11-12,20,22-23H,9-10H2,1-2H3
InChI Key:
YAIHHHYSJLBFDT-UHFFFAOYSA-N
SMILES:
COc1cc2CCNC(c2cc1OC)c1ccc2c(c1O)cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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