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87665-03-0 | 8-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-
CAS No: 87665-03-0 Catalog No: AG004O0J MDL No:
Product Description
Catalog Number:
AG004O0J
Chemical Name:
8-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-
CAS Number:
87665-03-0
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
(5,6-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-yl)methanol
InChI:
InChI=1S/C14H21NO3/c1-9-5-11-12(7-15(9)2)10(8-16)6-13(17-3)14(11)18-4/h6,9,16H,5,7-8H2,1-4H3
InChI Key:
PZKPCXHTUSLJJY-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CC(C)N(C2)C)CO
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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