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22990-16-5 | 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-1-phenyl-
CAS No: 22990-16-5 Catalog No: AG002LS2 MDL No:
Product Description
Catalog Number:
AG002LS2
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-1-phenyl-
CAS Number:
22990-16-5
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C17H17NO3/c1-20-14-8-12-9-16(19)18-17(11-6-4-3-5-7-11)13(12)10-15(14)21-2/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChI Key:
POPNJTYFCHGRDE-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CC(=O)NC2c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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