AG007OWM

21168-40-1 | 2-(Quinolin-3-yl)acetic acid

AG007OWM

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CAS Number	21168-40-1
Catalog Number	AG007OWM(AGN-PC-0JTNFO)
Chemical Name	2-(Quinolin-3-yl)acetic acid
IUPAC Name	2-quinolin-3-ylacetic acid
InChI	InChI=1S/C11H9NO2/c13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6H2,(H,13,14)
InChI Key	GQOJGBVTUSRBPQ-UHFFFAOYSA-N
MDL Number	MFCD03412554
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	OC(=O)CC1=CC2=C(C=CC=C2)N=C1
Synonyms	2-(QUINOLIN-3-YL)ACETIC ACID, 21168-40-1, 3-Quinolineacetic acid, quinoline-3-acetic acid, AC1LCPPZ, Quinolin-3-acetic acid, 3-Quinolinylacetic acid #, 2-quinolin-3-ylacetic acid, (Quinolin-3-yl)acetic acid, SCHEMBL3102896, CTK0I9677, DTXSID50345433, GQOJGBVTUSRBPQ-UHFFFAOYSA-N, ZINC2530088, ANW-58725, AKOS011683107, MCULE-1372203161, NE23394, RP03502, AJ-85073, TC-147470, Y8226, EN300-77729, W-206600, Z1259339964, 2- aceticacid, 3-Quinolinylacetic acid, C11H9NO2, CID604482,

Complexity	217
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	2
Topological Polar Surface Area	50.2A^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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