Vitas-M small molecule compound

2-[(4-methylphenyl)carbonyl]cyclohexanecarboxylic acid

Catalog ID
STL570692
SMILES OC(=O)C1CCCCC1C(=O)c1ccc(cc1)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 C15H18O3 MW 246.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-13H,2-5H2,1H3,(H,17,18)
InChIKey
JHAROMYZTGWTSG-UHFFFAOYSA-N
Synonyms
107147-13-7
107147137
2((4methylphenyl)carbonyl)cyclohexanecarboxylicacid
2(4methylbenzoyl)cyclohexane1carboxylicacid
2(4METHYLBENZOYL)CYCLOHEXANECARBOXYLICACID
2759788
CYCLOHEXANECARBOXYLICACID2(4METHYLBENZOYL)
CYCLOHEXANECARBOXYLICACID2(4METHYLBENZOYL)(1R2S)REL
InChI=1SC15H18O3c1106811(9710)14(16)12423513(12)15(17)18h691213H25H21H3(H1718)
MFCD07775667
ZINC000000155759
ZINC000001081367

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Available files

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