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754232-89-8 | 2(1H)-Quinolinone, 6-butoxy-3,4-dihydro-
CAS No: 754232-89-8 Catalog No: AG005BIQ MDL No:
Product Description
Catalog Number:
AG005BIQ
Chemical Name:
2(1H)-Quinolinone, 6-butoxy-3,4-dihydro-
CAS Number:
754232-89-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
6-butoxy-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C13H17NO2/c1-2-3-8-16-11-5-6-12-10(9-11)4-7-13(15)14-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChI Key:
KNYCVXCCPQABPQ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)CCC(=O)N2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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