Vitas-M small molecule compound

4-cyanobenzoic acid

Catalog ID
STL164357
SMILES N#Cc1ccc(cc1)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 C8H5NO2 MW 147.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChIKey
ADCUEPOHPCPMCE-UHFFFAOYSA-N
Synonyms
619-65-8
4CARBOXYBENZONITRILE
4cyanobenzoicacid
619658
BENZOICACID4CYANO
BENZOICACIDPCYANO
BENZOICACIDPCYANO(8CI)
C1=CC(=CC=C1C#N)C(=O)O
InChI=1SC8H5NO2c956137(426)8(10)11h14H(H1011)
MFCD00002528
PCARBOXYBENZONITRILE
PCYANOBENZOICACID
TEREPHTHALICACIDMONONITRILE
TEREPHTHALICMONONITRILE
ZINC000000331775
ZINC331775

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Available files

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