Structure Info
- Chemspace ID
- CSMB00021462149 (Enamine MADE)
- IUPAC Name
- 2-amino-4H,5H,6H,7H,8H-cyclohepta[d][1,3]oxazole-4-carbonitrile
- Mol formula
- C9H11N3O
- Mol weight
- 177 Da
- Catalog Number(s)
- BBV-94981398, CSC021462149, FCH6099585
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.1
- Heavy atoms count
- 13
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021462149
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