AG003IIL

17283-16-8 | 3,4-Dimethylphenylacetic Acid

AG003IIL

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CAS Number	17283-16-8
Catalog Number	AG003IIL(AGN-PC-0JPEZ3)
Chemical Name	3,4-Dimethylphenylacetic Acid
IUPAC Name	2-(3,4-dimethylphenyl)acetic acid
InChI	InChI=1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	OTTPBKINJOYJGW-UHFFFAOYSA-N
MDL Number	MFCD02664684
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	165781
SMILES	O=C(O)CC1=CC=C(C)C(C)=C1
Synonyms	3,4-Dimethylphenylacetic acid, 17283-16-8, 2-(3,4-dimethylphenyl)acetic acid, 3,4-Dimethylphenylaceticacid, 3,4-dimethyphenylacetic acid, (3,4-Dimethyl-phenyl)-acetic acid, (3,4-Dimethylphenyl)acetic acid, Benzeneacetic acid, 3,4-dimethyl-, MFCD02664684, 3,4-Dimethylbenzenacetic acid, PubChem10440, AC1L6PFM, AC1Q2DUW, SCHEMBL969589, CTK4D4378, DTXSID40304433, Benzeneacetic acid,3,4-dimethyl-, OTTPBKINJOYJGW-UHFFFAOYSA-N, HMS1757O22, ACT00756, KS-00000CU8, ZINC1649047, (3,4-Dimethylphenyl)acetic acid #, ANW-53661, BBL020407, NSC165781, SBB017956, STK117450, WT1661, AKOS000295883, AM62268, AS06102, CM13697, MCULE-3719890588, NSC-165781, TRA0036359, AJ-28778, AK-53965, AS-18779, SC-62157, SY021853, AB0022828, PHENOL, 3,4-DIMETHYL-, 1-ACETATE, ST2403862, TR-045778, 17283-16-8 3,4-dimethyphenylacetic acid, 4CH-018294, BB 0248966, ST50329670, W3768, X2164, ACETIC ACID 3,4-DIMETHYL-PHENYL ESTER, EN300-06309, K-5303, MFCD02664684 (97+%), J-010853, 3,4-Dimethylphenyl acetate, C10H12O2, CID296013, 22618-23-1, 110-71-4,

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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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