2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
Basic information
- CAS
5688-83-5- Standard SMILES
COc1ccc(C=C(C#N)C#N)c(OC)c1OC- InChIKey
VDQMDUGZIZBUGN-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
- IUPAC
- 2-[(2,3,4-trimethoxyphenyl)methylidene]propanedinitrile
Names & synonyms
2-[(2,3,4-trimethoxyphenyl)methylidene]propanedinitrile5688-83-52-[(2,3,4-Trimethoxyphenyl)methylene]propanedinitrile[(2,3,4-trimethoxyphenyl)methylene]methane-1,1-dicarbonitrile(2,3,4-trimethoxybenzylidene)propanedinitrileOprea1_029819DTXSID201213818SBB072002STL137665AKOS003677591ST086306[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
Show more names
F6782-3629Propanedinitrile, 2-[(2,3,4-trimethoxyphenyl)methylene]-
Database identifiers
- CAS
5688-83-5- PubChem CID
- 708607
- DTXSID
DTXSID201213818- Nikkaji
- J1.233.316A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
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Related reactions
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Compound notes
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