Structure Info
- Chemspace ID
- CSMB00000090495 (Enamine MADE)
- MFCD
- MFCD09027537
- IUPAC Name
- 6-methoxy-1,2-benzoxazole-3-carbonitrile
- Mol formula
- C9H6N2O2
- Mol weight
- 174 Da
- Catalog Number(s)
- 28146, 28146-0.05G, 28146-0.25G, AG202600, BBV-38300242, BD26547, CD11295762, CSC000090495, FCH863622, LN02020330, PCC97326, Y4125158
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.44
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 59
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000090495
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