Structure Info
- Chemspace ID
- CSMB00103008231 (Enamine MADE)
- CAS
- 126759-31-7
- MFCD
- MFCD34649533
- IUPAC Name
- 2-ethenyl-4-methoxy-1-nitrobenzene
- Mol formula
- C9H9NO3
- Mol weight
- 179 Da
- Catalog Number(s)
- A1-42129, AA000T4C, AA37640, BBV-137208229, CSC103008231, EN300-1789640, IMED3271460569, JH107913, PV-008591430965, s_271570_15607576_21750970, s_271570____15607576____21750970
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.49
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- 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
- CSMB00103008231
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