Vitas-M small molecule compound

2-cyano-3,3-dimethyl-4-oxopentanoate

Catalog ID
STL058840
SMILES N#CC(C(C(=O)C)(C)C)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 C8H10NO3 MW 168.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11NO3/c1-5(10)8(2,3)6(4-9)7(11)12/h6H,1-3H3,(H,11,12)/p-1
InChIKey
HIDHGDMDEGNMOO-UHFFFAOYSA-M
Synonyms

2cyano33dimethyl4oxopentanoate
CC(=O)C(C)(C)C(C#N)C(=O)(O)
InChI=1SC8H11NO3c15(10)8(23)6(49)7(11)12h6H13H3(H1112)p1
N#CC(C(C(=O)C)(C)C)C(=O)(O)
N#CC(C(C(=O)C)(C)C)C(=O)(O)(Na+)
sodium2cyano33dimethyl4oxopentanoate

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Available files

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