Structure Info
- Chemspace ID
- CSMB00020608030 (Enamine MADE)
- CAS
- 57338-21-3
- MFCD
- MFCD00026844
- IUPAC Name
- ethyl (2E)-2-cyano-3-(dimethylamino)prop-2-enoate
- Mol formula
- C8H12N2O2
- Mol weight
- 168 Da
- Catalog Number(s)
- 16849-87-9, 20R1662, 31244, 5419AD, A490021364, A533106, AA001Y0N, AA90643, ACM16849879, AS-31824, ArZ-UP071577, ArZ-UP132259, ArZ-UP493875, BB4LS-20R1662, BBV-38267637, BBV-78686750, BD128279, BD756408, CD13020861, CS-0199799, CSC020608030, D705136, D968100, E939825, FCH4488760, HY-W141318, RAA84987, Y4030962, ZX-AE011278, ZXC101382, ZXC209508
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.67
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00020608030
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