AG001FDC

148018-33-1 | 6-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester

AG001FDC

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CAS Number	148018-33-1
Catalog Number	AG001FDC(AGN-PC-0O3MVH)
Chemical Name	6-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester
IUPAC Name	ethyl 4-oxo-1H-quinoline-6-carboxylate
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)8-3-4-10-9(7-8)11(14)5-6-13-10/h3-7H,2H2,1H3,(H,13,14)
InChI Key	HJEXAEIHROLMFS-UHFFFAOYSA-N
MDL Number	MFCD17169955
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	O=C(C1=CC=C2N=CC=C(O)C2=C1)OCC
Synonyms	Ethyl 4-hydroxyquinoline-6-carboxylate, 148018-33-1, Ethyl 4-oxo-1,4-dihydroquinoline-6-carboxylate, 127286-04-8, 4-Hydroxy-quinoline-6-carboxylic acid ethyl ester, 4-Oxo-1,4-dihydro-quinoline-6-carboxylic acid ethyl ester, 4-Hydroxy-6-quinolinecarboxylic acid ethyl ester, SCHEMBL7283675, SCHEMBL9070470, CTK6F6599, CTK6F6606, DTXSID00576699, HJEXAEIHROLMFS-UHFFFAOYSA-N, MFCD17169955, ZINC34626568, AKOS016846038, AJ-89870, SC-68446, AB0047804, AX8257305, FT-0687563, FT-0749906, J3.520.942E, Z-8575, Z-8577, 4-Hydroxyquinoline-6-carboxylic acid ethyl ester, 4(1H)-Oxoquinoline-6-carboxylic acid ethyl ester, methyl4-hydroxyquinoline-6-carboxylate, ACN-052410, ethyl 4-oxo-1H-quinoline-6-carboxylate,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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