Structure Info
- Chemspace ID
- CSMB20450272946 (Enamine MADE)
- IUPAC Name
- 7-methoxy-4-nitro-2H-1,3-benzodioxole-5-carboxylic acid
- Mol formula
- C9H7NO7
- Mol weight
- 241 Da
- Catalog Number(s)
- BBV-1298075886
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.04
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 108
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20450272946
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