Vitas-M small molecule compound

5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid

Catalog ID
STK887928
SMILES CC(=O)Oc1ccc2c(c1)c(C(=O)O)c(o2)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 C12H10O5 MW 234.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10O5/c1-6-11(12(14)15)9-5-8(17-7(2)13)3-4-10(9)16-6/h3-5H,1-2H3,(H,14,15)
InChIKey
LKHUJOGZLYATHG-UHFFFAOYSA-N
Synonyms
307552-57-4
307552574
5(acetyloxy)2methyl1benzofuran3carboxylicacid
5acetoxy2methylbenzofuran3carboxylicacid
5ACETYLOXY2METHYL1BENZOFURAN3CARBOXYLICACID
5ACETYLOXY2METHYLBENZO(B)FURAN3CARBOXYLICACID
CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)O
InChI=1SC12H10O5c1611(12(14)15)958(177(2)13)3410(9)166h35H12H3(H1415)
MFCD01242193
ZINC000000083697
ZINC83697

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Available files

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