Basic information
- CAS
7404-82-2- Standard SMILES
O=C(CCC(CCC(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1- InChIKey
BZBXIPQOTHSYJX-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 4-Nitro-1,7-diphenylheptane-1,7-dione
- IUPAC
- 4-nitro-1,7-diphenylheptane-1,7-dione
Names & synonyms
4-nitro-1,7-diphenylheptane-1,7-dione7404-82-2DTXSID70323137RefChem:294976DTXCID70274256NSC403131NSC-403131
Database identifiers
- CAS
7404-82-2- PubChem CID
- 345490
- DTXSID
DTXSID70323137- Nikkaji
- J750.523J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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