Structure Info
- Chemspace ID
- CSMB08549497854 (Enamine MADE)
- IUPAC Name
- 5-ethenyl-6-nitro-2H-1,3-benzodioxole
- Mol formula
- C9H7NO4
- Mol weight
- 193 Da
- Catalog Number(s)
- BBV-1273913694, PV-008045661185, s_271570_15607576_21748960, s_271570____15607576____21748960
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.27
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB08549497854
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