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83-54-5 | 4(1H)-Quinolinone,1-methyl-
CAS No: 83-54-5 Catalog No: AG004ZN9 MDL No:
Product Description
Catalog Number:
AG004ZN9
Chemical Name:
4(1H)-Quinolinone,1-methyl-
CAS Number:
83-54-5
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
1-methylquinolin-4-one
InChI:
InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChI Key:
CSJAXRKDCCWCSJ-UHFFFAOYSA-N
SMILES:
Cn1ccc(=O)c2c1cccc2
EC Number:
201-485-3
UNII:
17MMY7OK1U
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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