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87664-90-2 | 8-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS No: 87664-90-2 Catalog No: AG004KVL MDL No:
Product Description
Catalog Number:
AG004KVL
Chemical Name:
8-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS Number:
87664-90-2
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
(5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)methanol
InChI:
InChI=1S/C13H19NO3/c1-14-5-4-10-11(7-14)9(8-15)6-12(16-2)13(10)17-3/h6,15H,4-5,7-8H2,1-3H3
InChI Key:
ICGDYFNHKZNIKO-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CCN(C2)C)CO
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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