Basic information
- Standard SMILES
O=CC1COC(c2ccccc2)OC1- InChIKey
DTFXWVBMKNZFJS-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- 2-Phenyl-1,3-dioxane-5-carbaldehyde
- IUPAC
- 2-phenyl-1,3-dioxane-5-carbaldehyde
Names & synonyms
SCHEMBL6132704DTFXWVBMKNZFJS-UHFFFAOYSA-N2-phenyl-1,3-dioxane-5-carbaldehyde355380-46-0DB-2789911,3-DIOXANE-5-CARBOXALDEHYDE, 2-PHENYL-
Database identifiers
- PubChem CID
- 22492879
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Related reactions
2 records
Compound notes
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