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10165-99-8 | 1(2H)-Isoquinolinone, 2-(2-phenylethyl)-
CAS No: 10165-99-8 Catalog No: AG00051L MDL No:
Product Description
Catalog Number:
AG00051L
Chemical Name:
1(2H)-Isoquinolinone, 2-(2-phenylethyl)-
CAS Number:
10165-99-8
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
2-(2-phenylethyl)isoquinolin-1-one
InChI:
InChI=1S/C17H15NO/c19-17-16-9-5-4-8-15(16)11-13-18(17)12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2
InChI Key:
WFVWSZLGGZLLRW-UHFFFAOYSA-N
SMILES:
O=c1n(CCc2ccccc2)ccc2c1cccc2
Properties
Complexity:
343
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:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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