Vitas-M small molecule compound

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

Catalog ID
STK887836
SMILES CCOc1ccc2c(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 C12H12O4 MW 220.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O4/c1-3-15-8-4-5-10-9(6-8)11(12(13)14)7(2)16-10/h4-6H,3H2,1-2H3,(H,13,14)
InChIKey
NTADZSZNVASNHI-UHFFFAOYSA-N
Synonyms
300673-97-6
300673976
3BENZO(B)FURANCARBOXYLICACID5ETHOXY2METHYL
3BENZOFURANCARBOXYLICACID5ETHOXY2METHYL
5ETHOXY2METHYL1BENZO(B)FURAN3CARBOXYLICACID
5ethoxy2methyl1benzofuran3carboxylicacid
5ETHOXY2METHYLBENZO(B)FURAN3CARBOXYLICACID
5ETHOXY2METHYLBENZOFURAN3CARBOXYLICACID
CCOC1=CC2=C(C=C1)OC(=C2C(=O)O)C
InChI=1SC12H12O4c1315845109(68)11(12(13)14)7(2)1610h46H3H212H3(H1314)
MFCD01911066
ZINC000000096566
ZINC96566

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Available files

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