Basic information
- Standard SMILES
COC(=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]- InChIKey
OXLSMCKAKKPLCS-UHFFFAOYSA-N- Molecular formula
- C6H9N3O11
- Average molar mass
- 299.15 g/mol
Names & identifiers
- Preferred name
- Methyl 2,2-bis(nitryloxymethyl)-3-nitryloxypropionate
- IUPAC
- methyl 3-nitrooxy-2,2-bis(nitrooxymethyl)propanoate
Names & synonyms
SCHEMBL7666475OXLSMCKAKKPLCS-UHFFFAOYSA-Nmethyl 2,2-bis(nitryloxymethyl)-3-nitryloxypropionatemethyl 3-nitryloxy-2,2-bis(nitryloxymethyl)propionate
Database identifiers
- PubChem CID
- 15380869
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
7 records
Compound notes
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