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89320-09-2 | 3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-6-phenyl-
CAS No: 89320-09-2 Catalog No: AG003ZUD MDL No:
Product Description
Catalog Number:
AG003ZUD
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-6-phenyl-
CAS Number:
89320-09-2
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
2-methyl-6-phenyl-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C16H15NO/c1-17-11-14-8-7-13(9-15(14)10-16(17)18)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChI Key:
ZMKHCHPNWNWLAS-UHFFFAOYSA-N
SMILES:
O=C1Cc2cc(ccc2CN1C)c1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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