Basic information
- CAS
77609-06-4- Standard SMILES
N#CC(C#N)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
UJNRFMIPHRZNRJ-UHFFFAOYSA-N- Molecular formula
- C18H14N2O
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.11061307
Names & identifiers
- Preferred name
- Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
- IUPAC
- 2-(3-oxo-1,3-diphenylpropyl)propanedinitrile
Names & synonyms
77609-06-4Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-DTXSID60384550RefChem:374400DTXCID303355742-(3-oxo-1,3-diphenylpropyl)malononitrileCyto3D9Maybridge3_001356HMS1434N14CCG-47398AKOS000649762IDI1_012743
Show more names
(3-Oxo-1,3-diphenylpropyl)propanedinitrileST503336762-(3-Oxo-1,3-diphenyl-propyl)-malononitrileSR-01000637017-1(3-oxo-1,3-diphenylpropyl)methane-1,1-dicarbonitrile
Database identifiers
- CAS
77609-06-4- PubChem CID
- 2807482
- DTXSID
DTXSID60384550- EC Number
- 140-891-4
- Nikkaji
- J1.000.001G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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