Vitas-M small molecule compound

4,4-dimethyl-5-nitropentan-2-one

Catalog ID
STL196679
SMILES [O-][N+](=O)CC(CC(=O)C)(C)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 C7H13NO3 MW 159.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H13NO3/c1-6(9)4-7(2,3)5-8(10)11/h4-5H2,1-3H3
InChIKey
HKYNUYYAUZSEKP-UHFFFAOYSA-N
Synonyms
35223-73-5
(O)(N+)(=O)CC(CC(=O)C)(C)C
2PENTANONE44DIMETHYL5NITRO
35223735
44DIMETHYL5NITRO2PENTANONE
44dimethyl5nitropentan2one
4METHYL4(NITROMETHYL)2PENTANONE
CC(=O)CC(C)(C)C(N+)(=O)(O)
InChI=1SC7H13NO3c16(9)47(23)58(10)11h45H213H3
MFCD00034778
ZINC000002167994
ZINC2167994

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Available files

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