Vitas-M small molecule compound

4-propanoylbenzonitrile

Catalog ID
STL387011
SMILES CCC(=O)c1ccc(cc1)C#N

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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 C10H9NO MW 159.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
InChIKey
ICQBABYHFYWPRD-UHFFFAOYSA-N
Synonyms
52129-98-3
4CYANOPROPIOPHENONE
4PROPANOYLBENZENECARBONITRILE
4propanoylbenzonitrile
4PROPIONYLBENZONITRILE
52129983
CCC(=O)C1=CC=C(C=C1)C#N
InChI=1SC10H9NOc1210(12)9538(711)469h36H2H21H3
MFCD18970065
ZINC000034448616
ZINC34448616

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Available files

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