Structure Info
- Chemspace ID
- CSMB00010911399 (Enamine MADE)
- MFCD
- MFCD26618677
- IUPAC Name
- 2-(7-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoacetic acid
- Mol formula
- C12H13NO3
- Mol weight
- 219 Da
- Catalog Number(s)
- BBV-77934489, CSC010911399, FCH3099900
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.03
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010911399
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