Basic information
- CAS
10471-29-1- Standard SMILES
N#CC(C(=O)C(=O)C(C#N)c1ccccc1)c1ccccc1- InChIKey
WGUBEMUTFOZPGM-UHFFFAOYSA-N- Molecular formula
- C18H12N2O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.08987762
Names & identifiers
- Preferred name
- 3,4-Dioxo-2,5-diphenylhexanedinitrile
- IUPAC
- 3,4-dioxo-2,5-diphenylhexanedinitrile
- English name
- 3,4-Dioxo-2,5-diphenylhexanedinitrile
- Molecular formula
- C18H12N2O2
- Molecular weight
- 288.3
Names & synonyms
3,4-dioxo-2,5-diphenylhexanedinitrile10471-29-1DTXSID00909145RefChem:1065821DTXCID801338212alpha,delta-DiphenylketipontrileKETIPONTRILE, alpha,delta-DIPHENYL-2,5-diphenyl-3,4-dioxoadiponitrileSCHEMBL11813692WGUBEMUTFOZPGM-UHFFFAOYSA-NHexanedinitrile, 3,4-dioxo-2,5-diphenyl-
Database identifiers
- CAS
10471-29-1- PubChem CID
- 25299
- DTXSID
DTXSID00909145- Nikkaji
- J171.275F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 453.2 · 453.2±45.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
Related reactions
4 records
Compound notes
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