AG000QCQ

1201194-56-0 | 2-Pyridineacetic acid, 5-methyl-, hydrochloride (1:1)

AG000QCQ

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CAS Number	1201194-56-0
Catalog Number	AG000QCQ(AGN-PC-0WAN5C)
Chemical Name	2-Pyridineacetic acid, 5-methyl-, hydrochloride (1:1)
IUPAC Name	2-(5-methylpyridin-2-yl)acetic acid;hydrochloride
InChI	InChI=1S/C8H9NO2.ClH/c1-6-2-3-7(9-5-6)4-8(10)11;/h2-3,5H,4H2,1H3,(H,10,11);1H
InChI Key	IEOUNGZMWIVCJJ-UHFFFAOYSA-N
MDL Number	MFCD18802336
Molecular Formula	C8H10ClNO2
Molecular Weight	187.6235
SMILES	O=C(O)CC1=NC=C(C)C=C1.[H]Cl
Synonyms	2-(5-Methylpyridin-2-yl)acetic acid hydrochloride, 1201194-56-0, SCHEMBL265643, KS-00000RSR, DTXSID20735488, IEOUNGZMWIVCJJ-UHFFFAOYSA-N, MFCD18802336, AKOS022175116, KS-9980, AK139129, 2-(5-Methylpyridin-2-yl)acetic acid HCl, CS-0042617, X3804, (5-methyl-pyridin-2-yl)-acetic acid hydrochloride, (5-Methylpyridin-2-yl)acetic acid--hydrogen chloride (1/1), C8H9NO2.HCl,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.623g/mol
Monoisotopic Mass	187.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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