5-Nitrofurfurylideneacetone
Basic information
- CAS
3455-61-6- Standard SMILES
CC(=O)C=Cc1ccc([N+](=O)[O-])o1- InChIKey
AYSGEAZAKMPTSE-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- 5-Nitrofurfurylideneacetone
- IUPAC
- 4-(5-nitrofuran-2-yl)but-3-en-2-one
Names & synonyms
5-nitrofurfurylideneacetone3455-61-6DTXSID601292622AKOS0172688534-(5-Nitro-2-furyl)-3-buten-2-one4-(5-Nitro-2-furanyl)-3-buten-2-one
Database identifiers
- CAS
3455-61-6- PubChem CID
- 18943
- DTXSID
DTXSID601292622
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…