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89320-13-8 | 3(2H)-Isoquinolinone, 1,4-dihydro-6-methyl-1-phenyl-
CAS No: 89320-13-8 Catalog No: AG003ZUB MDL No:
Product Description
Catalog Number:
AG003ZUB
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-6-methyl-1-phenyl-
CAS Number:
89320-13-8
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
6-methyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C16H15NO/c1-11-7-8-14-13(9-11)10-15(18)17-16(14)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,17,18)
InChI Key:
JCVJVTXYDILUDF-UHFFFAOYSA-N
SMILES:
O=C1Cc2cc(C)ccc2C(N1)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:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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