Basic information
- CAS
36937-95-8- Standard SMILES
COc1cccc(C=C(C#N)C#N)c1OC- InChIKey
QXIGVGQGZAURFQ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- Malononitrile, (2,3-dimethoxybenzylidene)-
- IUPAC
- 2-[(2,3-dimethoxyphenyl)methylidene]propanedinitrile
- English name
- (2,3-Dimethoxybenzylidene)propanedinitrile
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
36937-95-8MALONONITRILE, (2,3-DIMETHOXYBENZYLIDENE)-2,3-Dimethoxybenzylidene malononitrileBRN 2694982DTXSID70190427RefChem:351858DTXCID801129182-(2,3-Dimethoxybenzylidene)malononitrile2-[(2,3-dimethoxyphenyl)methylidene]propanedinitrileNSC6591462-(2,3-Dimethoxy-benzylidene)-malononitrile[(2,3-Dimethoxyphenyl)methylidene]propanedinitrile
Show more names
Propanedinitrile, 2-[(2,3-dimethoxyphenyl)methylene]-
2-[(2,3-dimethoxyphenyl)methylene]propanedinitrile(2,3-dimethoxybenzylidene)propanedinitrileOprea1_128529Oprea1_133139CHEMBL1998491MFCD00449704STL137026AKOS003677493
Database identifiers
- CAS
36937-95-8- PubChem CID
- 37584
- DTXSID
DTXSID70190427- ChEMBL
CHEMBL1998491- Nikkaji
- J147.628I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 100 · 100-102 °C(Solv: ethanol (64-17-5))
- Boiling point
- 362.1 · 362.1±37.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…