Vitas-M small molecule compound

8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione

Catalog ID
STK424285
SMILES O=C1OC(=O)C2C1C1C=CC2C1=C(C)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 C12H12O3 MW 204.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O3/c1-5(2)8-6-3-4-7(8)10-9(6)11(13)15-12(10)14/h3-4,6-7,9-10H,1-2H3
InChIKey
LEVGEMOUBVHJCN-UHFFFAOYSA-N
Synonyms

47(2METHYL1PROPENYLIDENE)3A477ATETRAHYDROISOBENZOFURAN13DIONE
8(propan2ylidene)3a477atetrahydro47methano2benzofuran13dione
CC(=C1C2C=CC1C3C2C(=O)OC3=O)C
InChI=1SC12H12O3c15(2)86347(8)109(6)11(13)1512(10)14h3467910H12H3
MFCD01922203
ZINC000102188513
ZINC000102582860

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Available files

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