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67950-91-8 | 1-(3,4,5-TRIMETHOXYBENZYL)-7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 67950-91-8 Catalog No: AG006HHM MDL No:
Product Description
Catalog Number:
AG006HHM
Chemical Name:
1-(3,4,5-TRIMETHOXYBENZYL)-7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
67950-91-8
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
InChI:
InChI=1S/C19H23NO4/c1-22-17-9-12(10-18(23-2)19(17)24-3)8-16-15-11-14(21)5-4-13(15)6-7-20-16/h4-5,9-11,16,20-21H,6-8H2,1-3H3
InChI Key:
JXSLBARTFFHYEA-UHFFFAOYSA-N
SMILES:
COc1cc(CC2NCCc3c2cc(O)cc3)cc(c1OC)OC
Properties
Complexity:
380
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:
5
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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