AG003BWF

940-64-7 | (4-Methylphenoxy)acetic acid

AG003BWF

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CAS Number	940-64-7
Catalog Number	AG003BWF(AGN-PC-0JL9ME)
Chemical Name	(4-Methylphenoxy)acetic acid
EC Number	213-374-7
IUPAC Name	2-(4-methylphenoxy)acetic acid
InChI	InChI=1S/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	SFTDDFBJWUWKMN-UHFFFAOYSA-N
MDL Number	MFCD00014365
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	38176
SMILES	O=C(O)COC1=CC=C(C)C=C1
UNII	WWY23322IK
Synonyms	(4-Methylphenoxy)acetic acid, 940-64-7, 4-Methylphenoxyacetic acid, 2-(4-methylphenoxy)acetic acid, p-Methylphenoxyacetic acid, 2-(p-tolyloxy)acetic acid, UNII-WWY23322IK, acetic acid, (4-methylphenoxy)-, WWY23322IK, SFTDDFBJWUWKMN-UHFFFAOYSA-N, MFCD00014365, (4-Methylphenoxy)acetic acid, 99%, p-Toloxyacetic acid, EINECS 213-374-7, NSC 38176, ACMC-20apmz, p-tolyloxy-acetic acid, 2-p-tolyloxyacetic acid, Enamine_002060, AC1L2DUP, AC1Q2MSV, 4-methyl-phenoxyacetic acid, AC1Q5WQ7, SCHEMBL503652, ARONIS006939, CHEMBL3249299, CTK5H4749, KS-00003HMV, ZINC84957, DTXSID70240193, HMS1399N14, ALBB-000230, NSC38176, (4-Methylphenoxy)acetic acid, 98%, 3834AF, BBL014127, CCG-43300, HTS001758, NSC-38176, SBB004531, STK397548, AKOS000103794, BS-3901, MCULE-6655773819, VZ20158, SC-50222, ST089302, AB1003295, DB-057465, TR-029396, FT-0605019, M2729, I04-8779, SR-01000633229-1, F1924-0029, InChI=1/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11, aceticacid, null, 4-(Methylphenoxy)acetic acid, C9H10O3, KST-1A9281, CID70329, AR-1A5922, C9-H10-O3, 4-Methylphenoxyacetic acid, 98% 5g, ACN-041820, R1295, (4-Methylphenoxy)acetic acid, 99% - 25G 25g, 99670-20-9,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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