5-Methyl-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one
Basic information
- Standard SMILES
CC1=CC(=Cc2ccc([N+](=O)[O-])o2)C(=O)O1- InChIKey
KOSBNALBHPXVQA-UHFFFAOYSA-N- Molecular formula
- C10H7NO5
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.03242232
Names & identifiers
- Preferred name
- 5-Methyl-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one
- IUPAC
- 5-methyl-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one
Database identifiers
- PubChem CID
- 221607
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…