Basic information
- CAS
19889-62-4- Standard SMILES
CC(=O)OCCCC(=Cc1cc2ccccc2c2ccccc12)[N+](=O)[O-]- InChIKey
YIAWNHCXKUPDLR-UHFFFAOYSA-N- Molecular formula
- C21H19NO4
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.13140809
Names & identifiers
- Preferred name
- (4-Nitro-5-phenanthren-9-ylpent-4-enyl) acetate
- IUPAC
- (4-nitro-5-phenanthren-9-ylpent-4-enyl) acetate
Database identifiers
- CAS
19889-62-4- PubChem CID
- 265013
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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