AG003BMY

6574-95-4 | 2-(2-cyanophenoxy)acetic acid

AG003BMY

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CAS Number	6574-95-4
Catalog Number	AG003BMY(AGN-PC-0KBPSE)
Chemical Name	2-(2-cyanophenoxy)acetic acid
IUPAC Name	2-(2-cyanophenoxy)acetic acid
InChI	InChI=1S/C9H7NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,6H2,(H,11,12)
InChI Key	FNJPHLBTJIHHPG-UHFFFAOYSA-N
MDL Number	MFCD02257373
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	OC(=O)COC1=C(C=CC=C1)C#N
Synonyms	2-(2-cyanophenoxy)acetic acid, (2-cyanophenoxy)acetic acid, 6574-95-4, (2-Cyano-phenoxy)-acetic acid, 2-cyanophenoxyacetic acid, Acetic acid, (2-cyanophenoxy)-, Enamine_002196, cyanophenoxyaceticacid, PubChem19215, (2-Cyanophenoxy)aceticAcid, AC1M15KO, ACMC-1B45H, Oprea1_752781, AC1Q766P, SCHEMBL1279945, CTK2F9168, KS-00000CKZ, DTXSID80366393, Aceticacid, 2-(2-cyanophenoxy)-, HMS1400D18, ZINC2578536, 0092AC, ANW-35082, KM0952, MFCD02257373, SBB020090, STK347823, AKOS000103208, MB-0803, MCULE-3106293154, RP10735, TRA0077445, AJ-42776, SY008340, (2-cyano-phenoxy)-acetic acid, AldrichCPR, AB0061492, DB-016321, TR-022330, FT-0681219, ST45168408, EN300-00096, MFCD02257373 (97+%), J-505598, I14-20122, Z56824601, C9H7NO3, CID2064021,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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