Structure Info
- Chemspace ID
- CSMB00010713043 (Enamine MADE)
- MFCD
- MFCD22494873
- IUPAC Name
- 3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C15H21BO4
- Mol weight
- 276 Da
- Catalog Number(s)
- A019064693, A118746, AG148280, AGNPC-0WBS4R, BBV-82134458, BD295735, CD12156541, CS-0174272, CS2289, CS2289-0.1G, CS2289-0.5G, CSC010713043, F465543, FCH2889914, HY-W117102, JH836795, LAN-B59571, LN00218374, M47737, TAC35047, Y4024791
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.35
- Heavy atoms count
- 20
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.533
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010713043
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