Structure Info
- Chemspace ID
- CSMB00011213316 (Enamine MADE)
- CAS
- 179115-08-3
- MFCD
- MFCD08554110
- IUPAC Name
- ethyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate
- Mol formula
- C11H13NO4
- Mol weight
- 223 Da
- Catalog Number(s)
- A019099940, A542967, AG314310, BBV-29350079, BD752442, CS-0288929, CSC011213316, EN300-6510862, HY-W226429, LN04613202, UZI/1911676, Y4034589, Y510-5028, s_1458_477984_483918, s_1458____477984____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.67
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 71
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011213316
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