4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2,3-triol
Basic information
- CAS
495411-34-2- Standard SMILES
O=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(O)c2O)cc1- InChIKey
LFTCQCNYBOVPRK-DAFODLJHSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2,3-triol
- IUPAC
- 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2,3-triol
Names & synonyms
SCHEMBL36688124-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2,3-triol4-[(1E)-2-(4-Nitrophenyl)ethenyl]-1,2,3-benzenetriolDTXSID801219369495411-34-2
Database identifiers
- CAS
495411-34-2- PubChem CID
- 9856768
- DTXSID
DTXSID801219369
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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