2-Phenylethene-1,1,2-tricarbonitrile
Basic information
- CAS
4364-80-1- Standard SMILES
N#CC(C#N)=C(C#N)c1ccccc1- InChIKey
QFLGJTBVYNAVJA-UHFFFAOYSA-N- Molecular formula
- C11H5N3
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.04834717
Names & identifiers
- Preferred name
- 2-Phenylethene-1,1,2-tricarbonitrile
- IUPAC
- 2-phenylethene-1,1,2-tricarbonitrile
Names & synonyms
2-phenylethene-1,1,2-tricarbonitrile4364-80-1DTXSID70301319RefChem:265342DTXCID70252453tricyanovinylbenzeneNSC142326SCHEMBL61242SCHEMBL8332696Phenylethene-1,1,2-tricarbonitrileNSC-142326
Database identifiers
- CAS
4364-80-1- PubChem CID
- 285442
- DTXSID
DTXSID70301319- Nikkaji
- J868.652A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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