Vitas-M small molecule compound

4-[(4-propylphenoxy)methyl]benzoic acid

Catalog ID
STK079758
SMILES CCCc1ccc(cc1)OCc1ccc(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 C17H18O3 MW 270.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18O3/c1-2-3-13-6-10-16(11-7-13)20-12-14-4-8-15(9-5-14)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKey
JGCWCLCLHUPLGM-UHFFFAOYSA-N
Synonyms

4((4PROPYLPHENOXY)METHYL)BENZOICACID
CCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O
CCCc1ccc(cc1)OCc1ccc(cc1)C(=O)O
InChI=1SC17H18O3c1231361016(11713)2012144815(9514)17(18)19h411H2312H21H3(H1819)
MFCD02717097
STK079758
ZINC000003217857
ZINC3217857

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Available files

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