Basic information
- CAS
49794-91-4- Standard SMILES
CC=CC(=O)Oc1c([N+](=O)[O-])cc(CCCCCCCC)cc1[N+](=O)[O-]- InChIKey
SPFTUJJHNQXNEY-UHFFFAOYSA-N- Molecular formula
- C18H24N2O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.16343649
Names & identifiers
- Preferred name
- 2,6-Dinitro-4-octylphenyl but-2-enoate
- IUPAC
- (2,6-dinitro-4-octylphenyl) but-2-enoate
Names & synonyms
SCHEMBL906661DTXSID80413772,6-dinitro-4-octylphenyl but-2-enoateNS00125382
Database identifiers
- CAS
49794-91-4- PubChem CID
- 65293
- DTXSID
DTXSID8041377
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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