AG004TCU

86-68-0 | 6-Methoxyquinoline-4-carboxylic acid

AG004TCU

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CAS Number	86-68-0
Catalog Number	AG004TCU(AGN-PC-0JMH3N)
Chemical Name	6-Methoxyquinoline-4-carboxylic acid
EC Number	617-906-2
IUPAC Name	6-methoxyquinoline-4-carboxylic acid
InChI	InChI=1S/C11H9NO3/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)
InChI Key	XXLFLUJXWKXUGS-UHFFFAOYSA-N
MDL Number	MFCD00024013
Molecular Formula	C11H9NO3
Molecular Weight	203.1941
NSC Number	403610
SMILES	O=C(C1=CC=NC2=CC=C(OC)C=C12)O
UNII	FS902DD40C
Synonyms	6-methoxyquinoline-4-carboxylic acid, 86-68-0, Quininic acid, 6-Methoxy-4-quinolinecarboxylic acid, 6-Methoxycinchoninic acid, UNII-FS902DD40C, 6-METHOXY-QUINOLINE-4-CARBOXYLIC ACID, Cinchoninic acid, 6-methoxy-, NSC-403610, 4-Quinolinecarboxylic acid, 6-methoxy-, FS902DD40C, Quininic acid [MI], Chininsaure, 6-Methoxy-4-quinolinecarboxylicacid, Prestwick0_001103, Prestwick1_001103, Prestwick2_001103, AC1L83LT, Oprea1_238538, SCHEMBL39557, SPBio_003083, CHEMBL1396390, CTK3E8474, DTXSID70323339, XXLFLUJXWKXUGS-UHFFFAOYSA-N, HMS1571M08, 6-Methoxyquinoline-4-carboxylicAcid, KS-000017TH, ZINC1596031, 5923AF, MFCD00024013, NSC403610, SBB093092, 4-Quinolinecarboxylicacid, 6-methoxy-, AKOS022505953, NE62794, CAS-86-68-0, NCGC00016341-01, AJ-27833, AS-41373, SC-68897, AB0049610, DB-008493, FT-0080204, FT-0631408, M2751, A19249, AE-562/43287134, quinic acid, QUININICACID, C11H9NO3, CID345824,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.197g/mol
Monoisotopic Mass	203.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number