Structure Info
- Chemspace ID
- CSMB00010705426 (Enamine MADE)
- CAS
- 1108668-03-6
- MFCD
- MFCD22480965
- IUPAC Name
- ethyl 2-amino-5-cyanobenzoate
- Mol formula
- C10H10N2O2
- Mol weight
- 190 Da
- Catalog Number(s)
- 126774, 1999AA, A019097790, ACDS-031993, AG103969, BBV-46741496, BD241770, CD12180535, CSC010705426, EN300-2692554, FCH2273137, FE72014, JH59731, LN01359140, SY320122, Y1411587, ZXC277682, s_1458_25975594_483918, s_1458____25975594____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.01
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010705426
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