Vitas-M small molecule compound

2-(2-methylbenzyl)butanedioic acid

Catalog ID
STL443580
SMILES OC(=O)CC(C(=O)O)Cc1ccccc1C

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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 C12H14O4 MW 222.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O4/c1-8-4-2-3-5-9(8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKey
WFWVINOHIVDSEV-UHFFFAOYSA-N
Synonyms
112759-62-3
112759623
2((2METHYLPHENYL)METHYL)BUTANEDIOICACID
2(2methylbenzyl)butanedioicacid
2METHYLBENZYLSUCCINICACID
BUTANEDIOICACID((METHYLPHENYL)METHYL)
CC1=CC=CC=C1CC(CC(=O)O)C(=O)O
InChI=1SC12H14O4c1842359(8)610(12(15)16)711(13)14h2510H67H21H3(H1314)(H1516)
MFCD01029363
ZINC000005009761
ZINC000005009762

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Available files

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