AG002CNZ

2003-79-4 | 3-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-

AG002CNZ

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CAS Number	2003-79-4
Catalog Number	AG002CNZ(AGN-PC-0JM8MX)
Chemical Name	3-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
IUPAC Name	2-oxo-1H-quinoline-3-carboxylic acid
InChI	InChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChI Key	XOQQVKDBGLYPGH-UHFFFAOYSA-N
MDL Number	MFCD01550054
Molecular Formula	C10H7NO3
Molecular Weight	189.1675
NSC Number	329342
SMILES	O=C(C2=CC1=C(NC2=O)C=CC=C1)O
UNII	5YC1Y02JDC
Synonyms	2-hydroxyquinoline-3-carboxylic acid, 2003-79-4, 2-oxo-1,2-dihydroquinoline-3-carboxylic acid, 2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid, 2-oxo-1H-quinoline-3-carboxylic acid, 2-Oxoquinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, 2-Hydroxy-3-quinolinecarboxylic acid, 2-oxo-1,2-dihydro-3-quinolinecarboxylic acid, NSC329342, UNII-5YC1Y02JDC, 5YC1Y02JDC, 2-quinolone-3-carboxylic acid, 1,2-Dihydro-2-oxoquinoline-3-carboxylic acid, 2-oxohydroquinoline-3-carboxylic acid, 3-carboxycarbostyril, Oxychinolincarbonsaure, NSC 329342, quinolone carboxylic acid, timtec-bb sbb010230, AC1L7B8P, SCHEMBL31394, oxodihydroquinolinecarboxylicacid, AC1Q73U8, CTK1A4040, DTXSID50173854, XOQQVKDBGLYPGH-UHFFFAOYSA-N, HMS1681K22, ZINC343467, KS-000026GP, ANW-47322, MFCD01550054, SBB010230, AKOS000320339, AKOS004905394, CS-W023156, MCULE-6896806628, NE19412, NSC-329342, PB12927, RP11190, AJ-61916, BAS 15364896, BC204675, BR-32081, EN002427, SC-99178, AB0023224, DB-081649, TC-136067, FT-0681086, ST50296417, W4238, EN300-26461, 3-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo-, H-2016, O57005, S-5496, AC-907/34127057, J-510206, 2-hydroxyquinoline-3-carboxylic acid(saltdata: free), I14-10779, Z223688302, 2-oxo-1,2-dihydro-3-quinolinecarboxylic acid, AldrichCPR, 2-Cyanobenzoic acid, C10H7NO3, CID332488, 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLICACID, (7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid, N/A,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.17g/mol
Monoisotopic Mass	189.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H302-H312-H315-H332-H319
Packing Group
Precautionary statements	P280-P302+P352-P261-P312-P304+P340-P280-P305+P351+P338
UN Code

Certificate of Analysis

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