Vitas-M small molecule compound

6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Catalog ID
STK802197
SMILES O=C1CC(C)(C)Cc2c1c(co2)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 C11H12O4 MW 208.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12O4/c1-11(2)3-7(12)9-6(10(13)14)5-15-8(9)4-11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKey
KOXFZRZSHOMWOM-UHFFFAOYSA-N
Synonyms
121625-78-3
121625783
66dimethyl4oxo4567tetrahydro1benzofuran3carboxylicacid
66dimethyl4oxo4567tetrahydrobenzofuran3carboxylicacid
66DIMETHYL4OXO567TRIHYDROBENZO(12B)FURAN3CARBOXYLICACID
66DIMETHYL4OXO57DIHYDRO1BENZOFURAN3CARBOXYLICACID
CC1(CC2=C(C(=O)C1)C(=CO2)C(=O)O)C
InChI=1SC11H12O4c111(2)37(12)96(10(13)14)5158(9)411h5H34H212H3(H1314)
MFCD01244482
ZINC000000301721
ZINC301721

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Available files

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