Structure Info
- Chemspace ID
- CSSS00009911828 (In-Stock Screening Compounds)
- CAS
- 855646-71-8, 89380-72-3
- MFCD
- MFCD20642172
- IUPAC Name
- 2,3,3-trimethyl-4-oxooxetane-2-carboxylic acid
- Mol formula
- C7H10O4
- Mol weight
- 158 Da
- Catalog Number(s)
- BB4LS-EN300-7709525, BBV-39924954, BL19075, CSC009911828, EN300-7709525, FCH1221980, Y3165472, Z1262520957, ZX-NM289390, ZXC345649
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.08
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.714
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00009911828
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