3,4-Dinitro-3-hexene

C₆H₁₀N₂O₄CAS 53684-54-1174.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀N₂O₄
Molar mass: 174.16 g/mol
Exact mass: 174.0641 Da
logP: 1.57Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53684-54-1

SMILES

CCC(=C(CC)[N+](=O)[O-])[N+](=O)[O-]

InChIKey

KQIWPQXBIFDSMD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-4H2,1-2H3

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Names and synonyms

1 names

3,4-Dinitrohex-3-ene

Reactions

3,4-DINITRO-3-HEXENE (3-Hexene, 3,4-dinitro-)product

Work with 3,4-Dinitro-3-hexene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitro-1-propene4749-28-438 % similar Fox-7145250-81-335 % similar Nitroethane79-24-332 % similar 3,4-Hexanedione4437-51-830 % similar 3-Pentanone96-22-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diethyl azodicarboxylate1972-28-7 N2-Acetyl-D-asparagine26117-27-1 N-Acetylasparagine4033-40-3

Elsewhere

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