(2,4-Dimethoxybenzylidene)malononitrile
Basic information
- CAS
2972-78-3- Standard SMILES
COc1ccc(C=C(C#N)C#N)c(OC)c1- InChIKey
VNSYEOGIEARFNL-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- (2,4-Dimethoxybenzylidene)malononitrile
- IUPAC
- 2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile
- English name
- 2-(2,4-Dimethoxybenzylidene)propanedinitrile
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
2972-78-3MALONONITRILE, (2,4-DIMETHOXYBENZYLIDENE)-(2,4-Dimethoxybenzylidene)malononitrileDTXSID30183870RefChem:1049623DTXCID701063612-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile2-(2,4-Dimethoxybenzylidene)malononitrile(2,4-dimethoxybenzylidene)propanedinitrileMFCD00449703BRN 26956052,4-Dimethoxybenzylidenemalononitrile
Show more names
Propanedinitrile, 2-[(2,4-dimethoxyphenyl)methylene]-
2-(2,4-Dimethoxybenzylidene)propanedinitrileCBMicro_011422Oprea1_232095Oprea1_6775491-10-00-00278 (Beilstein Handbook Reference)SCHEMBL3370571SMSF0003897STL140783
Database identifiers
- CAS
2972-78-3- PubChem CID
- 18090
- DTXSID
DTXSID30183870- Nikkaji
- J41.621E
Properties
Computed structural properties
- XLogP
- 1.9
- 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
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Compound notes
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