Structure Info
- Chemspace ID
- CSMB00103007303 (Enamine MADE)
- CAS
- 2228549-74-2
- IUPAC Name
- 4-(5-methoxy-2-nitrophenyl)butan-2-one
- Mol formula
- C11H13NO4
- Mol weight
- 223 Da
- Catalog Number(s)
- BBV-137207334, CSC103007303, EN300-1788495, IMED3271459661
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.17
- Heavy atoms count
- 16
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00103007303
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