Structure Info
- Chemspace ID
- CSMB00011011077 (Enamine MADE)
- CAS
- 1418129-38-0
- MFCD
- MFCD27977063
- IUPAC Name
- 4-formyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C14H17BO5
- Mol weight
- 276 Da
- Catalog Number(s)
- A1497199, AA01XCTG, AD240194, ADB3935576001, AG01XCW8, AR01XDL8, BB4LS-BD01411374, BBV-79466794, BD01411374, BG35776, BO35776, BS-47630, CS-0528725, CSC011011077, F781490, F88845, FCH3132863, Y1229926, Y1460449, ZXC330027
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.09
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 73
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011011077
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