Vitas-M small molecule compound

5-(3-methylphenyl)cyclohexane-1,3-dione

Catalog ID
STK508708
SMILES O=C1CC(=O)CC(C1)c1cccc(c1)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 C13H14O2 MW 202.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O2/c1-9-3-2-4-10(5-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
InChIKey
PNVNVCYTGLOTGK-UHFFFAOYSA-N
Synonyms
762243-26-5
5(3methylphenyl)cyclohexane13dione
5(MTOLYL)CYCLOHEXANE13DIONE
5MTOLYLCYCLOHEXANE13DIONE
762243265
CC1=CC=CC(=C1)C2CC(=O)CC(=O)C2
InChI=1SC13H14O2c1932410(59)11612(14)813(15)711h2511H68H21H3
MFCD08753427
ZINC000100014329
ZINC100014329

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Available files

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