Structure Info
- Chemspace ID
- CSMB00161163543 (Enamine MADE)
- CAS
- 2418731-07-2
- IUPAC Name
- 3-ethynyl-5-iodo-2-methylbenzoic acid
- Mol formula
- C10H7IO2
- Mol weight
- 286 Da
- Catalog Number(s)
- BBV-253364057, CSC161163543, EN300-26627264
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.22
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.1
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00161163543
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