Structure Info
- Chemspace ID
- CSMB00053840963 (Enamine MADE)
- IUPAC Name
- methyl 3,4,5-trimethylfuran-2-carboxylate
- Mol formula
- C9H12O3
- Mol weight
- 168 Da
- Catalog Number(s)
- BBV-94940836, CSC053840963, FCH6028002
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.26
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.444
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00053840963
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