2-{pentacyclo[5.4.0.0²,⁶.0³,¹⁰.0⁵,⁹]undecan-8-yl}acetic acid
Structure Info
- Chemspace ID
- CSCS00000009257 (Synthesis)
- CAS
- 156874-70-3
- MFCD
- MFCD02702719
- IUPAC Name
- 2-{pentacyclo[5.4.0.0²,⁶.0³,¹⁰.0⁵,⁹]undecan-8-yl}acetic acid
- Mol formula
- C13H16O2
- Mol weight
- 204 Da
- Catalog Number(s)
- BBV-45054638, CSC000009257, FCG57172227, FCH1672577, Z56782486
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.19
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.92307692307692
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00000009257
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