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6772-61-8 | 2-Benzyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 6772-61-8 Catalog No: AG005QC2 MDL No:
Product Description
Catalog Number:
AG005QC2
Chemical Name:
2-Benzyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
6772-61-8
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
2-benzyl-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChI Key:
MDQDPTFLHWZMPT-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2c1cccc2)Cc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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