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115607-75-5 | 4(1H)-Quinolinone, 8-methoxy-3-(1-oxobutyl)-
CAS No: 115607-75-5 Catalog No: AG000G8H MDL No:
Product Description
Catalog Number:
AG000G8H
Chemical Name:
4(1H)-Quinolinone, 8-methoxy-3-(1-oxobutyl)-
CAS Number:
115607-75-5
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-butanoyl-8-methoxy-1H-quinolin-4-one
InChI:
InChI=1S/C14H15NO3/c1-3-5-11(16)10-8-15-13-9(14(10)17)6-4-7-12(13)18-2/h4,6-8H,3,5H2,1-2H3,(H,15,17)
InChI Key:
ARTRQJHMQWMEQA-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c[nH]c2c(c1=O)cccc2OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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