AG003FUM

6331-04-0 | 2,4-Dimethylphenylacetic Acid

AG003FUM

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CAS Number	6331-04-0
Catalog Number	AG003FUM(AGN-PC-0WA5QG)
Chemical Name	2,4-Dimethylphenylacetic Acid
IUPAC Name	2-(2,4-dimethylphenyl)acetic acid
InChI	InChI=1S/C10H12O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	MWBXCWLRASBZFB-UHFFFAOYSA-N
MDL Number	MFCD02664685
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	45642
SMILES	CC1=C(C=CC(=C1)C)CC(=O)O
Synonyms	2,4-Dimethylphenylacetic acid, 6331-04-0, 2-(2,4-dimethylphenyl)acetic acid, 2,4-dimethyphenylacetic acid, (2,4-Dimethylphenyl)acetic acid, Acetic acid, (2,4-xylyl)-, 2,4-Dimethylphenylaceticacid, MWBXCWLRASBZFB-UHFFFAOYSA-N, F2182-0136, MFCD02664685, Acetic acid,4-xylyl)-, AC1L3DGG, AC1Q2LVI, (2,4-Xylyl)acetic acid, KSC495A3D, SCHEMBL1257788, 2,4-Dimethylphenyl-acetic Acid, 2,4-dimethyl phenyl acetic acid, 2,4-dimethyl-phenyl-acetic acid, CTK3J5031, DTXSID70212698, ACT00461, KS-00000CU4, NSC45642, ZINC1677440, (2,4-Dimethyl-phenyl)-acetic acid, (2,4-Dimethylphenyl)acetic acid #, ANW-45728, BBL002053, NSC-45642, STK114925, WT1660, AKOS000296243, AM62267, MCULE-5790920589, TRA0088892, AJ-29488, AK-53964, AS-38663, SC-26513, SY021822, (2,4-Dimethylphenyl)acetic acid AldrichCPR, 6331-04-0 2,4-dimethyphenylacetic acid, AB0029989, RT-002327, BB 0248967, FT-0688184, ST24032319, ST50407588, X2163, (2,4-Dimethylphenyl)acetic acid, AldrichCPR, A24084, L-2488, MFCD02664685 (97+%), I14-48261, 2,5-dimethylphenylaceticacid, C10H12O2, CID138729, MFCD00014369, 2,5-DIMETHYLPHENYLACETIC ACID, 1104606-44-1,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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