Basic information
- CAS
125369-85-9- Standard SMILES
COc1ccc(/C(C#N)=C\C=C\c2ccccc2[N+](=O)[O-])cc1- InChIKey
XOWXKLXPWZETEK-ZGCWVLQWSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-2,4-pentadienenitrile
- IUPAC
- (2E,4E)-2-(4-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
- English name
- 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-2,4-pentadienenitrile
- Molecular formula
- C18H14N2O3
- Molecular weight
- 306.32
Names & synonyms
AKOS0023447712-(4-METHOXYPHENYL)-5-(2-NITROPHENYL)-2,4-PENTADIENENITRILEBenzeneacetonitrile, 4-methoxy-α-[3-(2-nitrophenyl)-2-propen-1-ylidene]-
Database identifiers
- CAS
125369-85-9- PubChem CID
- 5773502
- EC Number
- 122-930-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 545.504 · 545.504±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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