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2540-30-9 | 4-Methyl-1-phenylquinolin-2(1H)-one
CAS No: 2540-30-9 Catalog No: AG006UVU MDL No:MFCD00024050
Product Description
Catalog Number:
AG006UVU
Chemical Name:
4-Methyl-1-phenylquinolin-2(1H)-one
CAS Number:
2540-30-9
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00024050
IUPAC Name:
4-methyl-1-phenylquinolin-2-one
InChI:
InChI=1S/C16H13NO/c1-12-11-16(18)17(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
InChI Key:
ILKUVYJZEPVFHW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n(c2c1cccc2)c1ccccc1
NSC Number:
109782
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 4-Methyl-1-phenyl-quinolin-2(1H)-one. | Acta crystallographica. Section E, Structure reports online 20080101 |
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