Basic information
- CAS
21461-32-5- Standard SMILES
COc1ccc(/C=C(\CCCOC(C)=O)[N+](=O)[O-])cc1OC- InChIKey
AQHFPDAQGNZFJD-UKTHLTGXSA-N- Molecular formula
- C15H19NO6
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.12123733
Names & identifiers
- Preferred name
- [(E)-5-(3,4-dimethoxyphenyl)-4-nitropent-4-enyl] acetate
- IUPAC
- [(E)-5-(3,4-dimethoxyphenyl)-4-nitropent-4-enyl] acetate
Names & synonyms
NSC10686421461-32-5DTXSID40418968NSC-106864(4E)-5-(3,4-Dimethoxyphenyl)-4-nitropent-4-en-1-yl acetate
Database identifiers
- CAS
21461-32-5- PubChem CID
- 5380902
- DTXSID
DTXSID40418968
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…