Structure Info
- Chemspace ID
- CSSS00133023804 (In-Stock Screening Compounds)
- CAS
- 2243506-39-8, 2419387-62-3
- MFCD
- MFCD32197603, MFCD31668433
- IUPAC Name
- (1R,2R,5S)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid
- Mol formula
- C8H12O3
- Mol weight
- 156 Da
- Catalog Number(s)
- BB4LS-EN300-6486678, BBV-157403299, BL65311, CSC133023804, EN300-6486678, FCH20144356, Y3172793, Z3327103110, ZXC298320
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.88
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.875
- Polar surface area (Å)
- 47
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00133023804
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