Vitas-M small molecule compound

4-(3,4-dimethylphenyl)-4-oxobutanoic acid

Catalog ID
STK357499
SMILES OC(=O)CCC(=O)c1ccc(c(c1)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 C12H14O3 MW 206.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKey
UXIHUHNPOHTZAQ-UHFFFAOYSA-N
Synonyms
51036-98-7
3(34DIMETHYLBENZOYL)PROPIONICACID
4(34DIMETHYLPHENYL)4OXOBUTANOICACID
4(34DIMETHYLPHENYL)4OXOBUTYRICACID
51036987
BENZENEBUTANOICACID34DIMETHYLGAMMAOXO
BENZENEBUTANOICACID34DIMETHYLGOXO
CC1=C(C=C(C=C1)C(=O)CCC(=O)O)C
InChI=1SC12H14O3c183410(79(8)2)11(13)5612(14)15h347H56H212H3(H1415)
MFCD01320027
ZINC000001766311
ZINC1766311

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Available files

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