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19713-25-8 | 4(1H)-Isoquinolinone, 2,3-dihydro-6,7-dimethoxy-3-methyl-3-phenyl-
CAS No: 19713-25-8 Catalog No: AG002ALJ MDL No:
Product Description
Catalog Number:
AG002ALJ
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-6,7-dimethoxy-3-methyl-3-phenyl-
CAS Number:
19713-25-8
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
6,7-dimethoxy-3-methyl-3-phenyl-1,2-dihydroisoquinolin-4-one
InChI:
InChI=1S/C18H19NO3/c1-18(13-7-5-4-6-8-13)17(20)14-10-16(22-3)15(21-2)9-12(14)11-19-18/h4-10,19H,11H2,1-3H3
InChI Key:
BYMNINOLOHLJGW-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CNC(C2=O)(C)c1ccccc1
NSC Number:
146455
Properties
Complexity:
407
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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