AG0014PY

13335-71-2 | Acetic acid, 2-(2,6-dimethylphenoxy)-

AG0014PY

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CAS Number	13335-71-2
Catalog Number	AG0014PY(AGN-PC-0JLCRK)
Chemical Name	Acetic acid, 2-(2,6-dimethylphenoxy)-
IUPAC Name	2-(2,6-dimethylphenoxy)acetic acid
InChI	InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	MLBCURLNKYKBEQ-UHFFFAOYSA-N
MDL Number	MFCD00156912
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	408599
SMILES	CC1=CC=CC(C)=C1OCC(O)=O
UNII	8RVEL9W5CF
Synonyms	13335-71-2, 2,6-Dimethylphenoxyacetic acid, 2-(2,6-dimethylphenoxy)acetic acid, (2,6-DIMETHYL-PHENOXY)-ACETIC ACID, (2,6-Dimethylphenoxy)acetic acid, UNII-8RVEL9W5CF, 8RVEL9W5CF, Acetic acid, (2,6-dimethylphenoxy)-, Acetic acid, (2,6-dimethylphenoxy)- (9CI), (2,6-xylyloxy)acetic acid, (2,6-xylyloxy) acetic acid, NSC408599, NSC 408599, Acetic acid, 2-(2,6-dimethylphenoxy)-, AC1Q2NFZ, AC1Q5WPM, Acetic acid,6-xylyloxy)-, EC 430-910-7, AC1L2QP1, AC1Q2NG0, 2,6-Dimethylphenoxy acetate, 2,6-DimethylphenoxyaceticAcid, SCHEMBL830740, ARONIS004991, Jsp002034, 2,6-dimethylphenoxy acetic acid, Acetic acid,6-dimethylphenoxy)-, CTK0H6177, KS-00003XMV, DTXSID50158085, MLBCURLNKYKBEQ-UHFFFAOYSA-N, HMS3604N03, ZINC120508, ALBB-013955, BCP12802, ANW-63990, BBL015280, MFCD00156912, SBB015396, STK103312, AKOS000103357, AC-1067, AN-4950, CD-1335, DB07634, MCULE-5038695383, NSC-408599, RP24158, KS-000012N5, Acetic acid, (2,6-xylyloxy)- (8CI), AJ-11710, BAS 16434996, BC678564, SC-19351, AB0019635, DB-016290, TC-064083, BB 0217644, D4345, FT-0654872, ST45028660, V0049, V0199, EN300-06394, Z-0290, 335D712, I01-1891, J-507518, Acetic acid, (2,6-xylyloxy)-, KST-1A1149, C10H12O3, AR-1A2006, CID101369, C10-H12-O3, CS-O-30827, A-172245.0, 13452-68-1, 78811-27-5, DBA,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318-H412
Packing Group	Ⅲ
Precautionary statements	P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P310-P501
UN Code	UN 3261

Certificate of Analysis

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