2-(3-Nitrophenyl)-1,3-dioxane
Basic information
- CAS
5663-26-3- Standard SMILES
O=[N+]([O-])c1cccc(C2OCCCO2)c1- InChIKey
VQZDEWTWLOZYBX-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)-1,3-dioxane
- IUPAC
- 2-(3-nitrophenyl)-1,3-dioxane
Names & synonyms
2-(3-nitrophenyl)-1,3-dioxane5663-26-3DTXSID40351346RefChem:251695DTXCID203024121,3-Dioxane, 2-(3-nitrophenyl)-MFCD010971662-m-nitrophenyl-1,3-dioxaneALBB-024053SBB003457AKOS003270063ST024137
Show more names
CS-0358619
Database identifiers
- CAS
5663-26-3- PubChem CID
- 698269
- DTXSID
DTXSID40351346- Nikkaji
- J1.746.731J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…