AG00C002

40609-76-5 | 4-Methylquinoline-2-carboxylic acid

AG00C002

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CAS Number	40609-76-5
Catalog Number	AG00C002(AGN-PC-0JVUR5)
Chemical Name	4-Methylquinoline-2-carboxylic acid
IUPAC Name	4-methylquinoline-2-carboxylic acid
InChI	InChI=1S/C11H9NO2/c1-7-6-10(11(13)14)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,14)
InChI Key	QBDSKOATHWHNOZ-UHFFFAOYSA-N
MDL Number	MFCD02230093
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(C1=NC2=CC=CC=C2C(C)=C1)O
Synonyms	4-methylquinoline-2-carboxylic acid, 40609-76-5, 4-Methyl-quinoline-2-carboxylic acid, Lepidincarbonsaure, BAS 02226660, AC1LF7YH, AC1Q2GNI, Oprea1_434373, Oprea1_549805, SCHEMBL2377166, CTK1D5348, KS-00001ACN, DTXSID50353699, QBDSKOATHWHNOZ-UHFFFAOYSA-N, ZINC194641, ALBB-021423, 4-Methyl-2-quinolinecarboxylic acid, 2764AE, CCG-17655, MFCD02230093, SBB015051, 2-Quinolinecarboxylicacid, 4-methyl-, AKOS000145500, 2-Quinolinecarboxylic acid, 4-methyl-, MCULE-6651932224, NE35698, AJ-17816, AM803860, AS-39466, ST073382, DB-081619, TR-042289, BB 0259835, FT-0692555, EN300-44310, 4-Methyl-2-quinolinecarboxylic acid, AldrichCPR, SR-01000451360, SR-01000451360-1, Z57289373, F0911-1636, C11H9NO2, CID748357, 4-METHYLQUINOLINE-2-CARBOXYLICACID,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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