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3954-48-1 | 1-benzyl-1,2,3,4-tetrahydroquinolin-4-one
CAS No: 3954-48-1 Catalog No: AG01B1DG MDL No:MFCD20085797
Product Description
Catalog Number:
AG01B1DG
Chemical Name:
1-benzyl-1,2,3,4-tetrahydroquinolin-4-one
CAS Number:
3954-48-1
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD20085797
IUPAC Name:
1-benzyl-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C16H15NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9H,10-12H2
InChI Key:
OTFPSEQWUFGDSQ-UHFFFAOYSA-N
SMILES:
O=C1CCN(c2c1cccc2)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:
2
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:
3
Literature
| Title | Journal |
|---|---|
| 1-Benzyl-2,3-dihydro-quinolin-4(1H)-one. | Acta crystallographica. Section E, Structure reports online 20080201 |
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