Vitas-M small molecule compound

4-(4-acetylphenyl)pentanoic acid

Catalog ID
STL442393
SMILES OC(=O)CCC(c1ccc(cc1)C(=O)C)C

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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 C13H16O3 MW 220.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16O3/c1-9(3-8-13(15)16)11-4-6-12(7-5-11)10(2)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKey
DGTNPYOULHICNW-UHFFFAOYSA-N
Synonyms
74072-46-1
4(4acetylphenyl)pentanoicacid
74072461
CC(CCC(=O)O)C1=CC=C(C=C1)C(=O)C
InChI=1SC13H16O3c19(3813(15)16)114612(7511)10(2)14h479H38H212H3(H1516)
MFCD00749153
ZINC000000271995
ZINC000000271997

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Available files

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