Structure Info
- Chemspace ID
- CSMB00113654833 (Enamine MADE)
- CAS
- 1894176-78-3
- MFCD
- MFCD32798319
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,3-dimethylbutanoate
- Mol formula
- C14H15NO4
- Mol weight
- 261 Da
- Catalog Number(s)
- A1496193, AA0201MM, AG0201PE, AR0202EE, BBV-148622801, BD01409541, BH61242, BP61242, CS-0652844, CSC113654833, EN300-6513173, F71841, SY365280, Y1365052
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.57
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.357
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00113654833
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