[3-Acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] acetate

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Basic information

CAS: 7344-23-2
Standard SMILES: CC(=O)OCC(COC(C)=O)(COC(C)=O)[N+](=O)[O-]
InChIKey: MESPONKCPLGERO-UHFFFAOYSA-N
Molecular formula: C10H15NO8
Average molar mass: 277.23 g/mol
Monoisotopic mass: 277.07976644

Names & identifiers

Preferred name: [3-Acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] acetate
IUPAC: [3-acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] acetate

Names & synonyms

7344-23-2[3-acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] acetateNSC507456SCHEMBL8400164DTXSID70325439MESPONKCPLGERO-UHFFFAOYSA-NNSC-507456Propane, 1,3-diacetoxy-2-acetoxymethyl-2-nitro-1,3-Propanediol, 2-hydroxymethyl-2-nitro-, triacetate2-[(Acetyloxy)methyl]-2-nitropropane-1,3-diyl diacetate3-(Acetyloxy)-2-[(acetyloxy)methyl]-2-nitropropyl acetate #

Database identifiers

CAS: 7344-23-2
PubChem CID: 350131
DTXSID: DTXSID70325439

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 125 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 327

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Compound notes

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