Vitas-M small molecule compound

3-(4-methylphenyl)-3-oxopropanenitrile

Catalog ID
STL196554
SMILES N#CCC(=O)c1ccc(cc1)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 C10H9NO MW 159.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
InChIKey
AIECDYDQPCANJK-UHFFFAOYSA-N
Synonyms
7391-28-8
3(4methylphenyl)3oxopropanenitrile
3(4METHYLPHENYL)3OXOPROPIONITRILE
3OXO3(PTOLYL)PROPANENITRILE
3OXO3(PTOLYL)PROPIONITRILE
3OXO3PTOLYLPROPANENITRILE
3OXO3PTOLYLPROPIONITRILE
3OXO3PTOLYLPROPIONITRILE4METHYLBENZOYLACETONITRILE
4METHYLBENZOYLACETONITRILE
4TOLUOYLACETONITRILE
7391288
CC1=CC=C(C=C1)C(=O)CC#N
InChI=1SC10H9NOc18249(538)10(12)6711h25H6H21H3
MFCD00067895
PTOLUOYLACETONITRILE
ZINC000000095728
ZINC00095728
ZINC95728

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Available files

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