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Home > Quinoline > 137515-86-7
137515-86-7 | 1(2H)-Isoquinolinone, 2-(2,6-dimethylphenyl)-
CAS No: 137515-86-7 Catalog No: AG0013GJ MDL No:
Product Description
Catalog Number:
AG0013GJ
Chemical Name:
1(2H)-Isoquinolinone, 2-(2,6-dimethylphenyl)-
CAS Number:
137515-86-7
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
2-(2,6-dimethylphenyl)isoquinolin-1-one
InChI:
InChI=1S/C17H15NO/c1-12-6-5-7-13(2)16(12)18-11-10-14-8-3-4-9-15(14)17(18)19/h3-11H,1-2H3
InChI Key:
NQGIYDUGZWIPDO-UHFFFAOYSA-N
SMILES:
O=c1n(ccc2c1cccc2)c1c(C)cccc1C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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