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89736-81-2 | 1(2H)-Isoquinolinone, 6,7-dimethoxy-2,3-diphenyl-
CAS No: 89736-81-2 Catalog No: AG004125 MDL No:
Product Description
Catalog Number:
AG004125
Chemical Name:
1(2H)-Isoquinolinone, 6,7-dimethoxy-2,3-diphenyl-
CAS Number:
89736-81-2
Molecular Formula:
C23H19NO3
Molecular Weight:
357.4019
IUPAC Name:
6,7-dimethoxy-2,3-diphenylisoquinolin-1-one
InChI:
InChI=1S/C23H19NO3/c1-26-21-14-17-13-20(16-9-5-3-6-10-16)24(18-11-7-4-8-12-18)23(25)19(17)15-22(21)27-2/h3-15H,1-2H3
InChI Key:
JYFSXKLEWWDBSR-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)cc(n(c2=O)c1ccccc1)c1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.409g/mol
Monoisotopic Mass:
357.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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