3,3'-[Propane-1,3-diylbis(oxy)]dipropanenitrile
Basic information
- CAS
55526-40-4- Standard SMILES
N#CCCOCCCOCCC#N- InChIKey
PPHVNJZVJZMSRM-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 3,3'-[Propane-1,3-diylbis(oxy)]dipropanenitrile
- IUPAC
- 3-[3-(2-cyanoethoxy)propoxy]propanenitrile
Names & synonyms
55526-40-43,3'-[propane-1,3-diylbis(oxy)]dipropanenitrile3,3'-(Propane-1,3-diylbis(oxy))dipropanenitrileNSC69066SCHEMBL12737606DTXSID40290509GAA33951NSC-69066
Database identifiers
- CAS
55526-40-4- PubChem CID
- 250076
- DTXSID
DTXSID40290509
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
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Compound notes
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