Structure Info
- Chemspace ID
- CSMB20450267677 (Enamine MADE)
- IUPAC Name
- 5-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
- Mol formula
- C10H9NO6
- Mol weight
- 239 Da
- Catalog Number(s)
- BBV-1298070453
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.6
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 99
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20450267677
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