Malononitrile, (4-ethoxy-3-methoxybenzylidene)-
Basic information
- CAS
17229-42-4- Standard SMILES
CCOc1ccc(C=C(C#N)C#N)cc1OC- InChIKey
BHNNTPFLKFAPCD-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- Malononitrile, (4-ethoxy-3-methoxybenzylidene)-
- IUPAC
- 2-[(4-ethoxy-3-methoxyphenyl)methylidene]propanedinitrile
- English name
- (4-Ethoxy-3-methoxybenzylidene)malononitrile
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
17229-42-4MALONONITRILE, (4-ETHOXY-3-METHOXYBENZYLIDENE)-4-Ethoxy-3-methoxybenzylidenemalononitrileBRN 2737502DTXSID30169250RefChem:351869DTXCID30917412-[(4-ethoxy-3-methoxyphenyl)methylidene]propanedinitrile(4-Ethoxy-3-methoxybenzylidene)malononitrile(4-ethoxy-3-methoxybenzylidene)propanedinitrileOprea1_284610Oprea1_522082
Show more names
Propanedinitrile, 2-[(4-ethoxy-3-methoxyphenyl)methylene]-
SCHEMBL13936251STL124020AKOS000420500[(4-Ethoxy-3-methoxyphenyl)methylidene]propanedinitrileF6782-3633
Database identifiers
- CAS
17229-42-4- PubChem CID
- 28413
- DTXSID
DTXSID30169250- Nikkaji
- J41.623A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 388.6 · 388.6±37.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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