1-Pyrenol, 8-nitro-, acetate (ester)
Basic information
- CAS
1732-28-1- Standard SMILES
CC(=O)Oc1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34- InChIKey
NLUVPXWBYOREHQ-UHFFFAOYSA-N- Molecular formula
- C18H11NO4
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.06880783
Names & identifiers
- Preferred name
- 1-Pyrenol, 8-nitro-, acetate (ester)
- IUPAC
- (8-nitropyren-1-yl) acetate
Names & synonyms
1-Pyrenol, 8-nitro-, acetate (ester)8-Nitro-1-pyrenol acetate (ester)1732-28-1DTXSID00169545RefChem:235124DTXCID50920368-nitropyren-1-yl acetate1-nitro-8-acetoxypyrene
Database identifiers
- CAS
1732-28-1- PubChem CID
- 164876
- DTXSID
DTXSID00169545- Nikkaji
- J638.273H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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