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120067-47-2 | 6-benzoyl-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 120067-47-2 Catalog No: AG019Y6P MDL No:MFCD12653671
Product Description
Catalog Number:
AG019Y6P
Chemical Name:
6-benzoyl-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
120067-47-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD12653671
IUPAC Name:
6-benzoyl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C16H13NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,17,18)
InChI Key:
BGGBOXVSGGCWMO-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)C(=O)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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