AG003LIK

28027-16-9 | 6-Methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

AG003LIK

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CAS Number	28027-16-9
Catalog Number	AG003LIK(AGN-PC-0O8JPO)
Chemical Name	6-Methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Name	6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
InChI	InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChI Key	YUXLPEGMXYHPCZ-UHFFFAOYSA-N
MDL Number	MFCD00024003
Molecular Formula	C11H9NO4
Molecular Weight	219.1935
NSC Number	80675
SMILES	O=C(C1=C(O)C2=CC(OC)=CC=C2N=C1)O
Synonyms	4-HYDROXY-6-METHOXYQUINOLINE-3-CARBOXYLIC ACID, 28027-16-9, 34785-07-4, 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 3-Carboxy-4-hydroxy-6-methoxyquinoline, 4-Hydroxy-6-methoxy-quinoline-3-carboxylic acid, 6-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid, 6-methoxy-4-oxohydroquinoline-3-carboxylic acid, NSC80675, AC1Q4EVM, AC1L5S3E, AC1Q6B2C, ASISCHEM C52003, Oprea1_207356, Oprea1_511176, AC1Q4F28, CHEMBL386037, SCHEMBL2053494, CTK1A4097, KS-00000GIU, 3-Quinolinecarboxylic acid, 1,4-dihydro-6-methoxy-4-oxo-, DTXSID80292183, YUXLPEGMXYHPCZ-UHFFFAOYSA-N, HMS1609L06, ZINC117350, ACT04272, ANW-61797, BBL027898, MFCD00024003, MFCD00844091, NSC-80675, SBB069060, STK802004, STK954972, AKOS000559094, AKOS001523843, AB01402, CCG-105912, MCULE-6223459371, RP27180, RP27185, TRA0033701, VQ10153, AC-24335, AJ-11526, AK-28565, BAS 06262800, DS-11062, AB0107541, DB-047322, DB-069074, TC-150542, BB 0221659, EU-0004226, FT-0638746, FT-0657994, ST50023496, T6470, VU0056123-3, VU0612445-1, H57446, W-6273, 3-Quinolinecarboxylicacid, 4-hydroxy-6-methoxy-, 4-hydroxy-6-methoxy-3-quinoline carboxylic acid, AB00100274-01, 027C169, 4-Hydroxy-6-methoxy-quinoline-3-carboxylic acid, A819290, J-515503, J-518849, J-650160, S04-0010, 4-HYDROXY-6-METHOXY-3-QUINOLINECARBOXYLIC ACID, F3095-2073, F3367-0003, 6-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid, 6-Methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, AldrichCPR, 290821-27-1, ACN-S004890, 4-Methyl-3,5-dihydroxybenzoic acid, AR-1G2774, CID255289, 4-HYDROXY-6-METHOXYQUINOLINE-3-CARBOXYLICACID, 35039-75-9,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.196g/mol
Monoisotopic Mass	219.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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