Structure Info
- Chemspace ID
- CSMB00134737118 (Enamine MADE)
- CAS
- 2168700-90-9
- MFCD
- MFCD31664995
- IUPAC Name
- ethyl 6-(iodomethyl)oxane-2-carboxylate
- Mol formula
- C9H15IO3
- Mol weight
- 298 Da
- Catalog Number(s)
- BBV-118165488, CSC134737118, EN300-26666657, FCH13587809, PIA84101
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.35
- Heavy atoms count
- 13
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.888
- Polar surface area (Å)
- 36
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00134737118
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