Structure Info
- Chemspace ID
- CSSS00020589366 (In-Stock Screening Compounds)
- CAS
- 1955497-85-4
- MFCD
- MFCD30180392
- IUPAC Name
- 2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
- Mol formula
- C8H12O3
- Mol weight
- 156 Da
- Catalog Number(s)
- AR01C6H2, AW46778, BB4LS-EN300-264622, BBV-39491011, BD00877656, CSC020589366, EN300-264622, FCG2517609079, FDD49785, Y3255788, Z2453130186, Z2517219338, ZXC314711
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.62
- 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
- CSSS00020589366
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