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126590-77-0 | 2-Quinolinepentanoic acid, 1,4-dihydro-1-methyl-4-oxo-
CAS No: 126590-77-0 Catalog No: AG000SZS MDL No:
Product Description
Catalog Number:
AG000SZS
Chemical Name:
2-Quinolinepentanoic acid, 1,4-dihydro-1-methyl-4-oxo-
CAS Number:
126590-77-0
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
5-(1-methyl-4-oxoquinolin-2-yl)pentanoic acid
InChI:
InChI=1S/C15H17NO3/c1-16-11(6-2-5-9-15(18)19)10-14(17)12-7-3-4-8-13(12)16/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,18,19)
InChI Key:
PUEVCLWVMOGIAN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1cc(=O)c2c(n1C)cccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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