Structure Info
- Chemspace ID
- CSMB00161160170 (Enamine MADE)
- IUPAC Name
- 3-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C21H31BO7
- Mol weight
- 406 Da
- Catalog Number(s)
- CSC161160170, EN300-26628729
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.03
- Heavy atoms count
- 29
- Rotatable bond count
- 8
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.619
- Polar surface area (Å)
- 91
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00161160170
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