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36053-94-8 | 8-methyl-1,2,3,4-tetrahydroquinolin-4-one
CAS No: 36053-94-8 Catalog No: AG01B7YT MDL No:MFCD09054821
Product Description
Catalog Number:
AG01B7YT
Chemical Name:
8-methyl-1,2,3,4-tetrahydroquinolin-4-one
CAS Number:
36053-94-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09054821
IUPAC Name:
8-methyl-2,3-dihydro-1H-quinolin-4-one
InChI:
InChI=1S/C10H11NO/c1-7-3-2-4-8-9(12)5-6-11-10(7)8/h2-4,11H,5-6H2,1H3
InChI Key:
VZLHOBQCHKAIOM-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c1cccc2C
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:
2
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:
1.8
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