Structure Info
- Chemspace ID
- CSMB00011367973 (Enamine MADE)
- CAS
- 1178671-79-8
- MFCD
- MFCD12803696
- IUPAC Name
- ethyl [(3-ethynylphenyl)carbamoyl]formate
- Mol formula
- C12H11NO3
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-32093751, CSC011367973, EN300-744023, a1_7827_24379
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.06
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011367973
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