Basic information
- CAS
59832-13-2- Standard SMILES
COc1cc(C=C(C#N)C#N)cc(OC)c1O- InChIKey
ZEGOLZJKCSVYBM-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
- IUPAC
- 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
Names & synonyms
59832-13-22-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile2-(4-Hydroxy-3,5-dimethoxybenzylidene)malononitrile2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylene]propanedinitrileOprea1_498351Oprea1_735588(4-hydroxy-3,5-dimethoxybenzylidene)propanedinitrileBDBM4320CHEMBL421877SCHEMBL8745026DTXSID001185192MFCD00810338
Show more names
STL134550AKOS001112521EBC-611878UPCMLD0ENAT5389863:001benzylidenemalononitrile (BMN) deriv. 4(4-Hydroxy-3,5-dimethoxybenzylidene)malononitrileAG-690/37046039F300446
Database identifiers
- CAS
59832-13-2- PubChem CID
- 746495
- DTXSID
DTXSID001185192- ChEMBL
CHEMBL421877- Nikkaji
- J482.638H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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