AG00IAEG

58530-47-5 | 2-(Pyridin-4-yloxy)acetic acid

AG00IAEG

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CAS Number	58530-47-5
Catalog Number	AG00IAEG(AGN-PC-0WAMYP)
Chemical Name	2-(Pyridin-4-yloxy)acetic acid
IUPAC Name	2-pyridin-4-yloxyacetic acid
InChI	InChI=1S/C7H7NO3/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)
InChI Key	CXSWUHSEGMQERG-UHFFFAOYSA-N
MDL Number	MFCD17170979
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	O=C(O)COC1=CC=NC=C1
Synonyms	2-(Pyridin-4-yloxy)acetic acid, 58530-47-5, 2-pyridin-4-yloxyacetic acid, 2-(4-Pyridyloxy)acetic acid, SCHEMBL7425169, 2-(4-Pyridinyloxy)-acetic acid, Acetic acid, 2-(4-pyridinyloxy)-, MFCD17170979, ZINC39191456, AKOS022634955, KS-00000R85, AK312175, DS-11829, 2-(4-Pyridinyloxy)-aceticacid,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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