AG003G04

13612-34-5 | 2-(2,5-Dimethylphenyl)acetic acid

AG003G04

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CAS Number	13612-34-5
Catalog Number	AG003G04(AGN-PC-0JLUNF)
Chemical Name	2-(2,5-Dimethylphenyl)acetic acid
EC Number	237-097-6
IUPAC Name	2-(2,5-dimethylphenyl)acetic acid
InChI	InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	RUSCTNYOPQOXDJ-UHFFFAOYSA-N
MDL Number	MFCD00014369
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	O=C(O)CC1=CC(C)=CC=C1C
Synonyms	2,5-DIMETHYLPHENYLACETIC ACID, 13612-34-5, 2-(2,5-dimethylphenyl)acetic acid, 2,5-Xylylacetic acid, (2,5-dimethylphenyl)acetic acid, 2,5-dimethylphenylaceticacid, 2,5-dimethylbenzeneacetic acid, 2,5-Dimethylphenyl acetic acid, MFCD00014369, RUSCTNYOPQOXDJ-UHFFFAOYSA-N, Benzeneacetic acid, 2,5-dimethyl-, EINECS 237-097-6, PubChem22525, AC1Q5VHQ, (2,5-Xylyl)acetic acid, ACMC-1BB4H, AC1L35SF, AC1Q2IK3, 2,5-Dimethylthenylaceticacid, 2.5-Dimethylphenylessigsaure, SCHEMBL37138, KSC493S4R, Jsp002186, CTK3J3948, KS-00000CTO, DTXSID60159669, ACN-S002703, ACT07669, BCP29307, ZINC2146640, (2,5-Dimethyl-phenyl)-acetic acid, ANW-20012, BBL020443, CD-946, RW2748, SBB063866, STK893160, 2,5-Dimethylphenylacetic acid, 98%, 2-(2,5-dimethyl-phenyl)-acetic acid, AKOS000295882, AN-6065, CS-W016088, EBD2220342, FS-3147, LS10689, MCULE-8340290470, RP22719, RTR-004854, TRA-0204012, AJ-33592, AK-43923, BR-43923, Q599, ST083680, SY020969, AB0017690, DB-020131, TR-004854, BB 0248968, D3779, FT-0610473, ST24032321, (2,5-Dimethylphenyl)acetic acid, AldrichCPR, EN300-64150, MFCD00014369 (98%), 612D345, I01-3128, Q-102066, Z234894443, (2,5-Dimethylphenyl)ethansaure, KST-1A1221, C10H12O2, CID83615, AR-1A1971, ACN-040278, C10-H12-O2, A2913, 2,5-Dimethylphenylacetic acid, 98% - 1G 1g, M-5539, 6331-04-0, 137647-92-8,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number