Structure Info
- Chemspace ID
- CSMB00000296771 (Enamine MADE)
- MFCD
- MFCD12516082
- IUPAC Name
- propan-2-yl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate
- Mol formula
- C12H15NO4
- Mol weight
- 237 Da
- Catalog Number(s)
- BBV-29350080, CSC000296771, s_1458_477984_483920, s_1458____477984____483920
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.08
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 71
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000296771
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