Basic information
- CAS
867152-94-1- Standard SMILES
CCOC1=CC(=O)OC(C)(c2ccc([N+](=O)[O-])cc2)C1- InChIKey
SPIZRSCKNQGSID-UHFFFAOYSA-N- Molecular formula
- C14H15NO5
- Average molar mass
- 277.27 g/mol
- Monoisotopic mass
- 277.09502258
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 4-ethoxy-5,6-dihydro-6-methyl-6-(4-nitrophenyl)-
- IUPAC
- 4-ethoxy-2-methyl-2-(4-nitrophenyl)-3H-pyran-6-one
Names & synonyms
867152-94-12H-Pyran-2-one, 4-ethoxy-5,6-dihydro-6-methyl-6-(4-nitrophenyl)-DTXSID504698454-Ethoxy-6-methyl-6-(4-nitrophenyl)-5,6-dihydro-2H-pyran-2-one
Database identifiers
- CAS
867152-94-1- PubChem CID
- 11637671
- DTXSID
DTXSID50469845- Nikkaji
- J2.326.198G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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