Basic information
- Standard SMILES
N#CC[C@H]1C[C@@H](CC=O)OCO1- InChIKey
USMAKJYFQDYSGH-JGVFFNPUSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
Names & identifiers
- Preferred name
- (+/-)-cis-6-(2-Oxoethyl)-1,3-dioxane-4-acetonitrile
- IUPAC
- 2-[(4S,6S)-6-(2-oxoethyl)-1,3-dioxan-4-yl]acetonitrile
Names & synonyms
(+/-)-cis-6-(2-oxoethyl)-1,3-dioxane-4-acetonitrile(+/-)-cis-6-[2-oxoethyl]-1,3-dioxane-4-acetonitrileSCHEMBL9369042USMAKJYFQDYSGH-JGVFFNPUSA-N(+/-)-cis-6-(2-oxoethyl)-1,3-dioxane-4acetonitrile(+/-)-cis-6-(2-oxoethyl)-1,3-dioxane4-acetonitrile
Database identifiers
- PubChem CID
- 86744693
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Related reactions
12 records
Compound notes
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