Structure Info
- Chemspace ID
- CSCS09882976453 (Synthesis)
- IUPAC Name
- 2-isothiocyanato-4,5-dimethoxybenzoic acid
- Mol formula
- C10H9NO4S
- Mol weight
- 239 Da
- Catalog Number(s)
- BBV-921087367
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.34
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS09882976453
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