Vitas-M small molecule compound

4-butylbenzoic acid

Catalog ID
STL197591
SMILES CCCCc1ccc(cc1)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 C11H14O2 MW 178.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChIKey
JFKUBRAOUZEZSL-UHFFFAOYSA-N
Synonyms
20651-71-2
20651712
4butylbenzoicacid
4NBUTYLBENZOICACID
BENZOICACID4BUTYL
CCCCC1=CC=C(C=C1)C(=O)O
InChI=1SC11H14O2c123495710(869)11(12)13h58H24H21H3(H1213)
MFCD00002571
PBUTYLBENZOICACID
PNBUTYLBENZOICACID
ZINC000002022964
ZINC2022964

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Available files

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