Vitas-M small molecule compound

4-hydroxy-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid

Catalog ID
STL341365
SMILES OC1CCCc2c1c(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 C10H12O4 MW 196.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12O4/c1-5-8-6(11)3-2-4-7(8)14-9(5)10(12)13/h6,11H,2-4H2,1H3,(H,12,13)
InChIKey
OTWYAVWSDOKNFY-UHFFFAOYSA-N
Synonyms
575462-25-8
4hydroxy3methyl4567tetrahydro1benzofuran2carboxylicacid
4hydroxy3methyl4567tetrahydrobenzofuran2carboxylicacid
575462258
CC1=C(OC2=C1C(CCC2)O)C(=O)O
InChI=1SC10H12O4c1586(11)3247(8)149(5)10(12)13h611H24H21H3(H1213)
MFCD04026789
ZINC000000531630
ZINC000000531631

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Available files

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