AG002E7I

18996-04-8 | 2-(2,5-Dimethylphenoxy)propanoic acid

AG002E7I

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CAS Number	18996-04-8
Catalog Number	AG002E7I(AGN-PC-0K7LZ1)
Chemical Name	2-(2,5-Dimethylphenoxy)propanoic acid
IUPAC Name	2-(2,5-dimethylphenoxy)propanoic acid
InChI	InChI=1S/C11H14O3/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChI Key	MJJBTCMCULRVQR-UHFFFAOYSA-N
MDL Number	MFCD03419316
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	C1(=CC(C)=CC=C1C)OC(C)C(O)=O
Synonyms	2-(2,5-dimethylphenoxy)propanoic acid, 18996-04-8, AC1N60KV, ARONIS008825, SCHEMBL7277166, CTK4E0268, DTXSID70400856, MJJBTCMCULRVQR-UHFFFAOYSA-N, KS-000040KQ, 6399AD, BBL002039, MFCD03419316, SBB079964, SP4225, STK324318, AKOS000104385, AKOS016364496, 2-(2,5-Dimethylphenoxy)propionic acid, MCULE-9302856297, ST089311, DB-027739, Propanoic acid, 2-(2,5-dimethylphenoxy)-, TR-048056, FT-0754335, 2-(2,5-DIMETHYLPHENOXY)PROPANOICACID, Y-0365, AN-329/43248825, F3034-0115, C11H14O3, CID4207848,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number