Vitas-M small molecule compound

4-(heptanoyloxy)benzoic acid

Catalog ID
STK017213
SMILES CCCCCCC(=O)Oc1ccc(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 C14H18O4 MW 250.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18O4/c1-2-3-4-5-6-13(15)18-12-9-7-11(8-10-12)14(16)17/h7-10H,2-6H2,1H3,(H,16,17)
InChIKey
BUWAEAUOELHEEF-UHFFFAOYSA-N
Synonyms
70973-86-3
4(HEPTANOYLOXY)BENZOICACID
4HEPTANOYLOXYBENZOICACID
BENZOICACID4((1OXOHEPTYL)OXY)
CCCCCCC(=O)OC1=CC=C(C=C1)C(=O)O
CCCCCCC(=O)Oc1ccc(cc1)C(=O)O
Registry IDs
MFCD08049678
ZINC000004576111
ZINC4576111

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Available files

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