Vitas-M small molecule compound

2-methylidene-4-(4-methylphenyl)-4-oxobutanoic acid

Catalog ID
STK358780
SMILES O=C(c1ccc(cc1)C)CC(=C)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 C12H12O3 MW 204.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O3/c1-8-3-5-10(6-4-8)11(13)7-9(2)12(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKey
SWFCMNDUPOTXGT-UHFFFAOYSA-N
Synonyms
19340-33-1
19340331
2METHYLENE4(4METHYLPHENYL)4OXOBUTANOICACID
2methylidene4(4methylphenyl)4oxobutanoicacid
3(4METHYLBENZOYL)2METHYLENEPROPIONICACID
CC1=CC=C(C=C1)C(=O)CC(=C)C(=O)O
InChI=1SC12H12O3c183510(648)11(13)79(2)12(14)15h36H27H21H3(H1415)
MFCD08532138
ZINC000006668742
ZINC6668742

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Available files

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