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19879-50-6 | 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-, (1R)-
CAS No: 19879-50-6 Catalog No: AG002BQS MDL No:
Product Description
Catalog Number:
AG002BQS
Chemical Name:
7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-, (1R)-
CAS Number:
19879-50-6
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
IUPAC Name:
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1
InChI Key:
DLDZDBDYUZLISX-QGZVFWFLSA-N
SMILES:
COc1ccc(cc1)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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