Structure Info
- Chemspace ID
- CSMB00103008237 (Enamine MADE)
- CAS
- 856356-96-2
- MFCD
- MFCD35115255
- IUPAC Name
- 2-ethynyl-4-methoxy-1-nitrobenzene
- Mol formula
- C9H7NO3
- Mol weight
- 177 Da
- Catalog Number(s)
- BBV-137208235, CSC103008237, EN300-1789646, IMED3271460575
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.91
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00103008237
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