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88307-68-0 | 1-(2-Hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 88307-68-0 Catalog No: AG0048OJ MDL No:
Product Description
Catalog Number:
AG0048OJ
Chemical Name:
1-(2-Hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
88307-68-0
Molecular Formula:
C17H20ClNO3
Molecular Weight:
321.7986
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
InChI:
InChI=1S/C17H19NO3.ClH/c1-20-15-9-11-7-8-18-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)19;/h3-6,9-10,17-19H,7-8H2,1-2H3;1H
InChI Key:
SMOXUVJGWUOYEJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccccc1O.Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.113g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.801g/mol
Monoisotopic Mass:
321.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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