Basic information
- Standard SMILES
O=CCc1ccc(C2OCCO2)o1- InChIKey
BTPBYEFQPDLERI-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- (5-[1,3]Dioxolan-2-yl-furan-2-yl)-acetaldehyde
- IUPAC
- 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]acetaldehyde
Names & synonyms
SCHEMBL1681094BTPBYEFQPDLERI-UHFFFAOYSA-N(5-[1,3]dioxolan-2-yl-furan-2-yl)-acetaldehyde
Database identifiers
- PubChem CID
- 86042298
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
4 records
Compound notes
Loading…