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114182-44-4 | 4-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (S)- (9CI)
CAS No: 114182-44-4 Catalog No: AG000AQ9 MDL No:
Product Description
Catalog Number:
AG000AQ9
Chemical Name:
4-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (S)- (9CI)
CAS Number:
114182-44-4
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
InChI:
InChI=1S/C12H17NO3/c1-13-6-8-4-11(15-2)12(16-3)5-9(8)10(14)7-13/h4-5,10,14H,6-7H2,1-3H3
InChI Key:
LQGZNLGFOVRCHN-UHFFFAOYSA-N
SMILES:
COc1cc2CN(C)C[C@H](c2cc1OC)O
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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