Vitas-M small molecule compound

5-ethyl-3-methyl-1-benzofuran-2-carboxylic acid

Catalog ID
STK515213
SMILES CCc1ccc2c(c1)c(C)c(o2)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/c1-3-8-4-5-10-9(6-8)7(2)11(15-10)12(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKey
CAJNDZAPCHHTQK-UHFFFAOYSA-N
Synonyms
58455-57-5
58455575
5ethyl3methyl1benzofuran2carboxylicacid
5ETHYL3METHYLBENZO(B)FURAN2CARBOXYLICACID
5ETHYL3METHYLBENZOFURAN2CARBOXYLICACID
CCC1=CC2=C(C=C1)OC(=C2C)C(=O)O
InChI=1SC12H12O3c13845109(68)7(2)11(1510)12(13)14h46H3H212H3(H1314)
MFCD06641569
ZINC000002890959
ZINC2890959

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Available files

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