Basic information
- CAS
36938-01-9- Standard SMILES
COc1cccc(C=C(C#N)C#N)c1O- InChIKey
FLKSNFNDQCADDI-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.0585775
Names & identifiers
- Preferred name
- Malononitrile, (2-hydroxy-3-methoxybenzylidene)-
- IUPAC
- 2-[(2-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
- English name
- Malononitrile, (2-hydroxy-3-methoxybenzylidene)-
- Molecular formula
- C11H8N2O2
- Molecular weight
- 200.19
Names & synonyms
MALONONITRILE, (2-HYDROXY-3-METHOXYBENZYLIDENE)-BRN 313347336938-01-9DTXSID001904304-10-00-02305 (Beilstein Handbook Reference)Propanedinitrile, 2-(2-hydroxy-3-methoxybenzylideno)-RefChem:351862DTXCID10112921FLKSNFNDQCADDI-UHFFFAOYSA-N(2-Hydroxy-3-methoxybenzylidene)malononitrileOprea1_114188Oprea1_553088
Show more names
2-[(2-Hydroxy-3-methoxyphenyl)methylene]propanedinitrilePropanedinitrile, 2-[(2-hydroxy-3-methoxyphenyl)methylene]-
AKOS000485464ST505183902-(2-Hydroxy-3-methoxybenzylidene)malononitrile2-(2-Hydroxy-3-methoxybenzylidene)malononitrile #[(2-Hydroxy-3-methoxyphenyl)methylidene]propanedinitrile[(2-hydroxy-3-methoxyphenyl)methylene]methane-1,1-dicarbonitrile
Database identifiers
- CAS
36938-01-9- PubChem CID
- 37585
- DTXSID
DTXSID00190430- Nikkaji
- J147.637H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 382.7 · 382.7±37.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.35(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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