5-Cyanotropolone
Basic information
- CAS
3266-92-0- Standard SMILES
N#Cc1ccc(O)c(=O)cc1- InChIKey
FUKXHWQWIFJSRA-UHFFFAOYSA-N- Molecular formula
- C8H5NO2
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.0320284
Names & identifiers
- Preferred name
- 5-Cyanotropolone
- IUPAC
- 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile
Names & synonyms
5-Cyanotropolone3266-92-0DTXSID60343506RefChem:302716DTXCID20294585FUKXHWQWIFJSRA-UHFFFAOYSA-N4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile1,3,6-Cycloheptatriene-1-carbonitrile, 4-hydroxy-5-oxo-SCHEMBL7282964-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carbonitrile #
Database identifiers
- CAS
3266-92-0- PubChem CID
- 590144
- DTXSID
DTXSID60343506- Nikkaji
- J1.398.518I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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