Malononitrile, (2-phenylpropylidene)-
Basic information
- CAS
88106-71-2- Standard SMILES
CC(C=C(C#N)C#N)c1ccccc1- InChIKey
GNGPAHQFSYSOEN-UHFFFAOYSA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.08439833
Names & identifiers
- Preferred name
- Malononitrile, (2-phenylpropylidene)-
- IUPAC
- 2-(2-phenylpropylidene)propanedinitrile
Names & synonyms
88106-71-2MALONONITRILE, (2-PHENYLPROPYLIDENE)-RefChem:10887702-PhenylpropylidenemalononitrileHydrotropylidenemalononitrileBRN 2575743DTXSID101007937(2-phenylpropylidene)propanedinitrile
Database identifiers
- CAS
88106-71-2- PubChem CID
- 55783
- DTXSID
DTXSID101007937- Nikkaji
- J147.652A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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