Vitas-M small molecule compound

2,2'-(2,5-dimethylbenzene-1,4-diyl)diacetic acid

Catalog ID
STK095468
SMILES OC(=O)Cc1cc(C)c(cc1C)CC(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H14O4 MW 222.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O4/c1-7-3-10(6-12(15)16)8(2)4-9(7)5-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
KHLBVGJKSPRIHX-UHFFFAOYSA-N
Synonyms
39800-44-7
2(4(CARBOXYMETHYL)25DIMETHYLPHENYL)ACETICACID
22(25dimethyl14phenylene)diaceticacid
22(25DIMETHYLBENZENE14DIYL)DIACETICACID
39800447
CC1=CC(=C(C=C1CC(=O)O)C)CC(=O)O
InChI=1SC12H14O4c17310(612(15)16)8(2)49(7)511(13)14h34H56H212H3(H1314)(H1516)
MFCD01852133
OC(=O)Cc1cc(C)c(cc1C)CC(=O)O
STK095468
ZINC000004338638
ZINC4338638

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.