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89721-01-7 | 3(2H)-Isoquinolinone, 1-(2-methylphenyl)-
CAS No: 89721-01-7 Catalog No: AG0042B3 MDL No:
Product Description
Catalog Number:
AG0042B3
Chemical Name:
3(2H)-Isoquinolinone, 1-(2-methylphenyl)-
CAS Number:
89721-01-7
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
1-(2-methylphenyl)-2H-isoquinolin-3-one
InChI:
InChI=1S/C16H13NO/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15(18)17-16/h2-10H,1H3,(H,17,18)
InChI Key:
QURMHGGHPWGIQI-UHFFFAOYSA-N
SMILES:
O=c1cc2ccccc2c([nH]1)c1ccccc1C
Properties
Complexity:
493
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:
1
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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