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112548-09-1 | 4(1H)-Quinolinone, 2-heptyl-7-methoxy-
CAS No: 112548-09-1 Catalog No: AG007ALT MDL No:
Product Description
Catalog Number:
AG007ALT
Chemical Name:
4(1H)-Quinolinone, 2-heptyl-7-methoxy-
CAS Number:
112548-09-1
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
2-heptyl-7-methoxy-1H-quinolin-4-one
InChI:
InChI=1S/C17H23NO2/c1-3-4-5-6-7-8-13-11-17(19)15-10-9-14(20-2)12-16(15)18-13/h9-12H,3-8H2,1-2H3,(H,18,19)
InChI Key:
KCHKOAGISOBLSQ-UHFFFAOYSA-N
SMILES:
CCCCCCCc1cc(=O)c2c([nH]1)cc(cc2)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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