AG00D8P4

5323-57-9 | Quinoline-2,4-dicarboxylic acid

AG00D8P4

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CAS Number	5323-57-9
Catalog Number	AG00D8P4(AGN-PC-0JNA3F)
Chemical Name	Quinoline-2,4-dicarboxylic acid
IUPAC Name	quinoline-2,4-dicarboxylic acid
InChI	InChI=1S/C11H7NO4/c13-10(14)7-5-9(11(15)16)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)(H,15,16)
InChI Key	JPGZDTDZZDLVHW-UHFFFAOYSA-N
MDL Number	MFCD01025809
Molecular Formula	C11H7NO4
Molecular Weight	217.1776
NSC Number	2784
SMILES	O=C(C1=NC2=CC=CC=C2C(C(O)=O)=C1)O
Synonyms	Quinoline-2,4-dicarboxylic acid, 2,4-Quinolinedicarboxylic acid, 5323-57-9, 2,4-Quinolinedicarboxylicacid, JPGZDTDZZDLVHW-UHFFFAOYSA-N, 2,4-dicarboxyquinoline, AC1Q5TKC, quinoline-2,4-dicarboxylic, AC1L58JT, Oprea1_370030, Oprea1_678794, SCHEMBL69125, CHEMBL74713, CTK1H0969, DTXSID60277539, NSC2784, ZINC183782, NSC-2784, 5051AE, STK386175, AKOS000301247, MCULE-6477755705, BAS 00531010, DB-081639, TR-040929, AM20061286, FT-0712671, ST50233525, C11H7NO4, AR-1D3891, CID220275, 5739-37-7,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.038g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.18g/mol
Monoisotopic Mass	217.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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