Basic information
- CAS
21461-28-9- Standard SMILES
CC(=O)OCCC/C(=C\c1ccccc1)[N+](=O)[O-]- InChIKey
VLJSJHMJSBHITE-JLHYYAGUSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- [(E)-4-nitro-5-phenylpent-4-enyl] acetate
- IUPAC
- [(E)-4-nitro-5-phenylpent-4-enyl] acetate
Names & synonyms
NSC10692321461-28-9DTXSID00418969NSC-106923(4E)-4-Nitro-5-phenylpent-4-en-1-yl acetate
Database identifiers
- CAS
21461-28-9- PubChem CID
- 5380903
- DTXSID
DTXSID00418969
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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