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19352-59-1 | 7-methyl-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 19352-59-1 Catalog No: AG01B8JV MDL No:MFCD13179105
Product Description
Catalog Number:
AG01B8JV
Chemical Name:
7-methyl-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
19352-59-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD13179105
IUPAC Name:
7-methyl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C10H11NO/c1-7-2-3-8-4-5-10(12)11-9(8)6-7/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
IHVQLIWZGXUWFD-UHFFFAOYSA-N
SMILES:
Cc1cc2NC(=O)CCc2cc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Detection of methylquinoline transformation products in microcosm experiments and in tar oil contaminated groundwater using LC-NMR. | Chemosphere 20080201 |
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