AG003ES4

5333-40-4 | 2-(2-Isopropyl-5-methylphenoxy)acetic acid

AG003ES4

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CAS Number	5333-40-4
Catalog Number	AG003ES4(AGN-PC-0JN9ZP)
Chemical Name	2-(2-Isopropyl-5-methylphenoxy)acetic acid
IUPAC Name	2-(5-methyl-2-propan-2-ylphenoxy)acetic acid
InChI	InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChI Key	MURZAHIYMVFXCF-UHFFFAOYSA-N
MDL Number	MFCD00021757
Molecular Formula	C12H16O3
Molecular Weight	208.2536
NSC Number	2403
SMILES	CC(C)C1=C(OCC(O)=O)C=C(C)C=C1
Synonyms	2-(2-isopropyl-5-methylphenoxy)acetic acid, 5333-40-4, (2-ISOPROPYL-5-METHYLPHENOXY)ACETIC ACID, thymoxyacetic acid, 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid, 2-[5-methyl-2-(propan-2-yl)phenoxy]acetic acid, Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, [5-methyl-2-(propan-2-yl)phenoxy]acetic acid, 2-[5-methyl-2-(methylethyl)phenoxy]acetic acid, NSC2403, (Thymyloxy)acetic acid, AC1Q5WPW, AC1Q1OJ6, AC1Q1OJ7, Cambridge id 7159940, Oprea1_606578, AC1L587O, ARONIS000557, SCHEMBL1979911, CTK7J5394, KS-00000CRN, ZINC38390, DTXSID40277456, MURZAHIYMVFXCF-UHFFFAOYSA-N, ALBB-000817, NSC-2403, 7573AB, ANW-71452, BBL014295, MFCD00021757, SBB004541, STK050689, 2-isopropyl-5-methylphenoxyacetic acid, AKOS000104767, MCULE-1683297619, TRA0066243, KS-00003U83, AJ-08784, AS-31693, DA-16881, ST054419, SY017150, 2-(2-Isopropyl-5-methylphenoxy)aceticAcid, AB0065973, TR-048036, (2-Isopropyl-5-methyl-phenoxy)-acetic acid, FT-0715201, I1014, EN300-00016, W-6254, MFCD00021757 (97+%), AG-205/03636036, SR-01000253002, SR-01000253002-1, Z56820873, C12H16O3, AR-1L6872, CID220116, 108-31-6, 5821-26-1,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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