Structure Info
- Chemspace ID
- CSMB00009856173 (Enamine MADE)
- CAS
- 21857-42-1
- MFCD
- MFCD12756722
- IUPAC Name
- 2-(5-methoxy-2-nitrophenyl)ethan-1-ol
- Mol formula
- C9H11NO4
- Mol weight
- 197 Da
- Catalog Number(s)
- BBV-39736988, CSC009856173, EN300-1854185, FCH1153007, IMED1255481551
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.28
- Heavy atoms count
- 14
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 73
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00009856173
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