Structure Info
- Chemspace ID
- CSSS00102887631 (In-Stock Screening Compounds)
- CAS
- 2173996-45-5
- MFCD
- MFCD31629554
- IUPAC Name
- 4-[(benzyloxy)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
- Mol formula
- C14H16O4
- Mol weight
- 248 Da
- Catalog Number(s)
- AR01FJLI, AY03754, BB4LS-EN300-1664005, BBV-128055690, CSC102887631, EN300-1664005, Y3154243, YLD99645, Z3061890219, ZXC392205
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.65
- Heavy atoms count
- 18
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00102887631
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