Vitas-M small molecule compound

3-hydroxy-2,2-dimethyl-3-phenylpropanenitrile

Catalog ID
STK386810
SMILES OC(C(C#N)(C)C)c1ccccc1

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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 C11H13NO MW 175.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13NO/c1-11(2,8-12)10(13)9-6-4-3-5-7-9/h3-7,10,13H,1-2H3
InChIKey
KRKKSXYOZJKIQS-UHFFFAOYSA-N
Synonyms
50654-42-7
2METHYL2(ALPHAHYDROXYBENZYL)PROPIONITRILE
3HYDROXY22DIMETHYL3PHENYLPROPANENITRILE
50654427
CC(C)(C#N)C(C1=CC=CC=C1)O
InChI=1SC11H13NOc111(2812)10(13)9643579h371013H12H3
MFCD00463566
ZINC000000294802
ZINC000000294804

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Available files

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