[(E)-4-nitro-5-(3-nitrophenyl)pent-4-enyl] acetate
Basic information
- CAS
19893-66-4- Standard SMILES
CC(=O)OCCC/C(=C\c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]- InChIKey
OTYOGINKULYATJ-UKTHLTGXSA-N- Molecular formula
- C13H14N2O6
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.08518617
Names & identifiers
- Preferred name
- [(E)-4-nitro-5-(3-nitrophenyl)pent-4-enyl] acetate
- IUPAC
- [(E)-4-nitro-5-(3-nitrophenyl)pent-4-enyl] acetate
Names & synonyms
19893-66-4NSC118400NSC-118400
Database identifiers
- CAS
19893-66-4- PubChem CID
- 54599115
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…