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Home > Quinoline > 104793-01-3
104793-01-3 | 6-acetyl-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 104793-01-3 Catalog No: AG01A2DB MDL No:MFCD18266829
Product Description
Catalog Number:
AG01A2DB
Chemical Name:
6-acetyl-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
104793-01-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD18266829
IUPAC Name:
6-acetyl-1-methyl-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C12H13NO2/c1-8(14)9-3-5-11-10(7-9)4-6-12(15)13(11)2/h3,5,7H,4,6H2,1-2H3
InChI Key:
BCUZEZZKMXBBCT-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1C)ccc(c2)C(=O)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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