Structure Info
- Chemspace ID
- CSMB00009881927 (Enamine MADE)
- MFCD
- MFCD00100579, MFCD20731389
- IUPAC Name
- 6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine
- Mol formula
- C9H9NO4
- Mol weight
- 195 Da
- Catalog Number(s)
- 59820-83-6, ACM59820836, BBV-39779332, BTB10214, CHC02020, CSC009881927, FCH1183526, JH708464, M350748
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.94
- 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
- CSMB00009881927
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