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13338-66-4 | 7-Isoquinolinol, 1,2,3,4-tetrahydro-6,8-dimethoxy-2-methyl-
CAS No: 13338-66-4 Catalog No: AG0014R4 MDL No:
Product Description
Catalog Number:
AG0014R4
Chemical Name:
7-Isoquinolinol, 1,2,3,4-tetrahydro-6,8-dimethoxy-2-methyl-
CAS Number:
13338-66-4
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)11(14)12(16-3)9(8)7-13/h6,14H,4-5,7H2,1-3H3
InChI Key:
ZJUWNYMWJKNZJO-UHFFFAOYSA-N
SMILES:
COc1c2CN(C)CCc2cc(c1O)OC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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