Vitas-M small molecule compound

2-(cyanomethyl)benzoic acid

Catalog ID
STK523958
SMILES N#CCc1ccccc1C(=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 C9H7NO2 MW 161.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
InChIKey
AGXBHBJDSLZGAP-UHFFFAOYSA-N
Synonyms
6627-91-4
2(cyanomethyl)benzoicacid
2CYANOMETHYLBENZOICACID
6627914
ALPHACYANOOTOLUICACID
BENZOICACID2(CYANOMETHYL)
C1=CC=C(C(=C1)CC#N)C(=O)O
InChI=1SC9H7NO2c1065731248(7)9(11)12h14H5H2(H1112)
MFCD00020293
OCARBOXYPHENYLACETONITRILE
OCYANOMETHYLBENZOICACID
OTOLUICACIDALPHACYANO
ZINC000001301233
ZINC1301233

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Available files

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