AG000JLN

122855-37-2 | 3-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester

AG000JLN

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CAS Number	122855-37-2
Catalog Number	AG000JLN(AGN-PC-0BTYQP)
Chemical Name	3-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester
IUPAC Name	ethyl 8-hydroxyquinoline-3-carboxylate
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)9-6-8-4-3-5-10(14)11(8)13-7-9/h3-7,14H,2H2,1H3
InChI Key	JONFCTYYAHIBKK-UHFFFAOYSA-N
MDL Number	MFCD18416648
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	O=C(C1=CC2=CC=CC(O)=C2N=C1)OCC
Synonyms	ETHYL 8-HYDROXYQUINOLINE-3-CARBOXYLATE, 122855-37-2, SCHEMBL2201187, MFCD18416648, ZINC91692878, AKOS025146747, AK164959, AS-41388, SC-68457, AB0049318, 3-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester, 71083-22-2,

Complexity	257
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	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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