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40692-45-3 | 4-Benzyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 40692-45-3 Catalog No: AG01EDQA MDL No:
Product Description
Catalog Number:
AG01EDQA
Chemical Name:
4-Benzyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
40692-45-3
IUPAC Name:
4-benzyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)13(11-17-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,17,18)
InChI Key:
PGVRVOLZSPHFNU-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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