Structure Info
- Chemspace ID
- CSSS00000699806 (In-Stock Screening Compounds)
- CAS
- 1696482-95-7, 99495-07-5
- MFCD
- MFCD28246202
- IUPAC Name
- 3-methyloxane-4-carbonitrile
- Mol formula
- C7H11NO
- Mol weight
- 125 Da
- Catalog Number(s)
- A1037404, AR01A6UQ, AV53958, ArZ-UP206278, B497743, BBV-495117, BD00996456, CSC000699806, EN300-131556, WSC48295, Y3183628, Z1638513443, ZX-NM178792, ZXC398008
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.62
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.857
- Polar surface area (Å)
- 33
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00000699806
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