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89736-86-7 | 1(2H)-Isoquinolinone, 4-methyl-2-phenyl-
CAS No: 89736-86-7 Catalog No: AG0041LX MDL No:
Product Description
Catalog Number:
AG0041LX
Chemical Name:
1(2H)-Isoquinolinone, 4-methyl-2-phenyl-
CAS Number:
89736-86-7
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
4-methyl-2-phenylisoquinolin-1-one
InChI:
InChI=1S/C16H13NO/c1-12-11-17(13-7-3-2-4-8-13)16(18)15-10-6-5-9-14(12)15/h2-11H,1H3
InChI Key:
FWJOXKVDUOYLSE-UHFFFAOYSA-N
SMILES:
Cc1cn(c2ccccc2)c(=O)c2c1cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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