5-Methyl-5-nitro-2-hexanone
CAS Registry Number®
4604-49-3
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CAS Name
5-Methyl-5-nitro-2-hexanoneMolecular Formula
C7H13NO3Molecular Mass
159.18Cite this Page
5-Methyl-5-nitro-2-hexanone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4604-49-3 (retrieved ) (CAS RN: 4604-49-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
119 °C @ Press: 11 TorrDensity (1)
1.05644 g/cm³ @ Temp: 425 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3
InChIKey
InChIKey=QWHNMIXUSPUHGO-UHFFFAOYSA-N
SMILES
C(CCC(C)=O)(N(=O)=O)(C)C
Canonical SMILES
O=C(C)CCC(N(=O)=O)(C)C
Other Names for this Substance
- 2-Hexanone, 5-methyl-5-nitro-
- 5-Methyl-5-nitro-2-hexanone
- NSC 16186
