Vitas-M small molecule compound

2-[(2,4-dimethylphenyl)carbonyl]benzoic acid

Catalog ID
STK350541
SMILES Cc1ccc(c(c1)C)C(=O)c1ccccc1C(=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 C16H14O3 MW 254.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14O3/c1-10-7-8-12(11(2)9-10)15(17)13-5-3-4-6-14(13)16(18)19/h3-9H,1-2H3,(H,18,19)
InChIKey
WIJXLAAOWGSOMB-UHFFFAOYSA-N
Synonyms
2346-63-6
2((24dimethylphenyl)carbonyl)benzoicacid
2(24DIMETHYLBENZOYL)BENZOICACID
2346636
BENZOICACID2(24DIMETHYLBENZOYL)
CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C
InChI=1SC16H14O3c1107812(11(2)910)15(17)13534614(13)16(18)19h39H12H3(H1819)
MFCD00157029
ZINC000000282268
ZINC282268

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Available files

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