Structure Info
- Chemspace ID
- CSCS00020961428 (Synthesis)
- MFCD
- MFCD21361338
- IUPAC Name
- 4-methyl-5-nitro-2,3-dihydro-1-benzofuran-3-one
- Mol formula
- C9H7NO4
- Mol weight
- 193 Da
- Catalog Number(s)
- BBV-105808570, CSC020961428, FCH7646843
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.53
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00020961428
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