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64483-60-9 | 2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxobutyl)-
CAS No: 64483-60-9 Catalog No: AG00H6V8 MDL No:
Product Description
Catalog Number:
AG00H6V8
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxobutyl)-
CAS Number:
64483-60-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
6-butanoyl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C13H15NO2/c1-2-3-12(15)10-4-6-11-9(8-10)5-7-13(16)14-11/h4,6,8H,2-3,5,7H2,1H3,(H,14,16)
InChI Key:
UQRTUMJRQVFCMO-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc2c(c1)CCC(=O)N2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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