Vitas-M small molecule compound

2-butylbenzene-1,3-dicarboxylic acid

Catalog ID
STL566346
SMILES CCCCc1c(cccc1C(=O)O)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/c1-2-3-5-8-9(11(13)14)6-4-7-10(8)12(15)16/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKey
XBVFRINUJXHFCH-UHFFFAOYSA-N
Synonyms
5293-56-1
13BENZENEDICARBOXYLICACID2BUTYL
1770912
2butylbenzene13dicarboxylicacid
2BUTYLISOPHTHALICACID
2NBUTYLISOPHTHALICACID
5293561
InChI=1SC12H14O4c123589(11(13)14)64710(8)12(15)16h467H235H21H3(H1314)(H1516)
MFCD00543973
ZINC000002116201

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Available files

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