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1624261-95-5 | 4-Quinolinecarboxylic acid, 1,2-dihydro-2-hydroxy-, butyl ester
CAS No: 1624261-95-5 Catalog No: AG001T5N MDL No:
Product Description
Catalog Number:
AG001T5N
Chemical Name:
4-Quinolinecarboxylic acid, 1,2-dihydro-2-hydroxy-, butyl ester
CAS Number:
1624261-95-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
butyl 2-hydroxy-1,2-dihydroquinoline-4-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-2-3-8-18-14(17)11-9-13(16)15-12-7-5-4-6-10(11)12/h4-7,9,13,15-16H,2-3,8H2,1H3
InChI Key:
WRTRXDOLGDGZDZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1=CC(O)Nc2c1cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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