Basic information
- CAS
7357-50-8- Standard SMILES
N#CCCOCC(COc1ccccc1)OCCC#N- InChIKey
GRFIAICZPZTDMN-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- 3,3'-[(3-Phenoxypropane-1,2-diyl)bis(oxy)]dipropanenitrile
- IUPAC
- 3-[2-(2-cyanoethoxy)-3-phenoxypropoxy]propanenitrile
Names & synonyms
7357-50-8NSC230373,3'-[(3-phenoxypropane-1,2-diyl)bis(oxy)]dipropanenitrileDTXSID50281781NSC-23037
Database identifiers
- CAS
7357-50-8- PubChem CID
- 229372
- DTXSID
DTXSID50281781
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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