AG00APFU

19360-67-9 | 4-Carboxyphenoxyacetic acid

AG00APFU

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CAS Number	19360-67-9
Catalog Number	AG00APFU(AGN-PC-0JLX6G)
Chemical Name	4-Carboxyphenoxyacetic acid
EC Number	242-994-0
IUPAC Name	4-(carboxymethoxy)benzoic acid
InChI	InChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key	LABJFIBQJFPXHZ-UHFFFAOYSA-N
MDL Number	MFCD00004307
Molecular Formula	C9H8O5
Molecular Weight	196.1568
NSC Number	190728
SMILES	O=C(O)COC1=CC=C(C(O)=O)C=C1
Synonyms	4-(Carboxymethoxy)benzoic acid, 19360-67-9, 4-Carboxyphenoxyacetic acid, p-Carboxyphenoxyacetic acid, 4-Carboxyphenoxyaceticacid, Benzoic acid,4-(carboxymethoxy)-, LABJFIBQJFPXHZ-UHFFFAOYSA-N, p-(carboxymethyloxy)benzenecarboxylic acid, EINECS 242-994-0, AC1L3EVT, AC1Q5U1B, (4-Carboxyphenoxy)acetic acid, 4-Carboxymethoxy-benzoic Acid, SCHEMBL341847, CHEMBL216861, 4-(carboxymethyloxy)benzoic acid, CTK4E1297, DTXSID10172969, 4-(Carboxymethoxy)benzoic acid #, ZINC156005, Benzoic acid, 4-(carboxymethoxy)-, BBL034638, NSC190728, SBB057748, STL255559, AKOS001262667, MCULE-2855315257, NE30257, NSC-190728, NS-01930, FT-0694679, ST45240866, I01-18884, Z149150306, |A-Carboxy-p-anisic acid, C9-H8-O5, CID88024, AR-1F6750, 19793-46-5,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.037g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.158g/mol
Monoisotopic Mass	196.037g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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