2-(5-Methylfuran-2-yl)butanal
Basic information
- CAS
123821-11-4- Standard SMILES
CCC(C=O)c1ccc(C)o1- InChIKey
PFLUFBMKOXFWSD-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 2-(5-Methylfuran-2-yl)butanal
- IUPAC
- 2-(5-methylfuran-2-yl)butanal
Names & synonyms
2-(5-methylfuran-2-yl)butanalSCHEMBL2518991DTXSID20275677123821-11-4
Database identifiers
- CAS
123821-11-4- PubChem CID
- 61897
- DTXSID
DTXSID20275677
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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