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826-72-2 | 1-Methyl-3,4-dihydroquinolin-2(1H);-one
CAS No: 826-72-2 Catalog No: AG0052DS MDL No:MFCD03413676
Product Description
Catalog Number:
AG0052DS
Chemical Name:
1-Methyl-3,4-dihydroquinolin-2(1H);-one
CAS Number:
826-72-2
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD03413676
IUPAC Name:
1-methyl-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C10H11NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3
InChI Key:
GRDNENMVSPDQBD-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1C)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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