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73109-01-0 | 1(2H)-Isoquinolinone, 3-methyl-2-phenyl-
CAS No: 73109-01-0 Catalog No: AG005CFE MDL No:
Product Description
Catalog Number:
AG005CFE
Chemical Name:
1(2H)-Isoquinolinone, 3-methyl-2-phenyl-
CAS Number:
73109-01-0
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-methyl-2-phenylisoquinolin-1-one
InChI:
InChI=1S/C16H13NO/c1-12-11-13-7-5-6-10-15(13)16(18)17(12)14-8-3-2-4-9-14/h2-11H,1H3
InChI Key:
BDGBZDMODLNWIV-UHFFFAOYSA-N
SMILES:
Cc1cc2ccccc2c(=O)n1c1ccccc1
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:
3.4
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