Vitas-M small molecule compound

5-tert-butylbenzene-1,3-dicarboxylic acid

Catalog ID
STK895714
SMILES OC(=O)c1cc(cc(c1)C(C)(C)C)C(=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/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey
BJLUCDZIWWSFIB-UHFFFAOYSA-N
Synonyms

03092359
13BENZENEDICARBOXYLICACID5(11DIMETHYLETHYL)
5(TERTBUTYL)BENZENE13DICARBOXYLICACID
5(TERTBUTYL)ISOPHTHALICACID
5TBUTYLISOPHTHALICACID
5TERTBUTYL13BENZENEDICARBOXYLICACID
5tertbutylbenzene13dicarboxylicacid
5TERTBUTYLISOPHTHALICACID
5TERTBUTYLISOPHTHALICACID5TERTBUTYLPHENYL13DICARBOXYLICACID
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI=1SC12H14O4c112(23)957(10(13)14)48(69)11(15)16h46H13H3(H1314)(H1516)
ISOPHTHALICACID5TERTBUTYL
MFCD00067047
ZINC000000389734
ZINC389734

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Available files

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