3-[(5-Nitro-2-furanyl)methylene]-5-phenyl-2(3H)-furanone
Basic information
- CAS
18709-53-0- Standard SMILES
O=C1OC(c2ccccc2)=CC1=Cc1ccc([N+](=O)[O-])o1- InChIKey
XNHMVABEMUQOQT-UHFFFAOYSA-N- Molecular formula
- C15H9NO5
- Average molar mass
- 283.23 g/mol
- Monoisotopic mass
- 283.04807239
Names & identifiers
- Preferred name
- 3-[(5-Nitro-2-furanyl)methylene]-5-phenyl-2(3H)-furanone
- IUPAC
- 3-[(5-nitrofuran-2-yl)methylidene]-5-phenylfuran-2-one
Names & synonyms
3-[(5-Nitro-2-furanyl)methylene]-5-phenyl-2(3H)-furanoneDTXSID50120101018709-53-03-[(5-Nitrofuran-2-yl)methylidene]-5-phenylfuran-2(3H)-one
Database identifiers
- CAS
18709-53-0- PubChem CID
- 889882
- DTXSID
DTXSID501201010
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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