Structure Info
- Chemspace ID
- CSCS00015259767 (Synthesis)
- IUPAC Name
- 4,6-dimethyl-5-nitro-2H-1,3-benzodioxole
- Mol formula
- C9H9NO4
- Mol weight
- 195 Da
- Catalog Number(s)
- BBV-561665, CSC015259767, FCH4965798
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.56
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00015259767
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