Basic information
- Standard SMILES
C1COCCO1.CC#N- InChIKey
CXADQLLYLMBGTG-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
Names & identifiers
- Preferred name
- Acetonitrile dioxane
- IUPAC
- acetonitrile;1,4-dioxane
Names & synonyms
dioxane MeCNdioxan acetonitrileacetonitrile dioxanedioxane acetonitrileacetonitrile p-dioxaneMeCN 1,4-dioxaneSCHEMBL35969CXADQLLYLMBGTG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22504236
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 55.8
Related reactions
10 records
Compound notes
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