Structure Info
- Chemspace ID
- CSMB00000193744 (Enamine MADE)
- MFCD
- MFCD14631385
- IUPAC Name
- 2-methyl-1-nitro-4-(prop-2-yn-1-yloxy)benzene
- Mol formula
- C10H9NO3
- Mol weight
- 191 Da
- Catalog Number(s)
- A143165, BBV-32711092, CSC000193744, s_7_101978_6266, s_7____101978____6266
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.5
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000193744
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