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14174-17-5 | Methanone, (3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)phenyl-
CAS No: 14174-17-5 Catalog No: AG001GYS MDL No:
Product Description
Catalog Number:
AG001GYS
Chemical Name:
Methanone, (3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)phenyl-
CAS Number:
14174-17-5
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
InChI:
InChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-15(14)11-17(16)22-2)18(20)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChI Key:
XNNRDJVSXKWPQK-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)C(=O)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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