5-oxahexacyclo[5.4.1.0²,⁶.0³,¹⁰.0⁴,⁸.0⁹,¹²]dodecane-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSS00010434141 (In-Stock Screening Compounds)
- CAS
- 151535-91-0
- MFCD
- MFCD24490434
- IUPAC Name
- 5-oxahexacyclo[5.4.1.0²,⁶.0³,¹⁰.0⁴,⁸.0⁹,¹²]dodecane-4-carboxylic acid
- Mol formula
- C12H12O3
- Mol weight
- 204 Da
- Catalog Number(s)
- BB4LS-EN300-9424653, BBV-45238167, BL63343, CSC010434141, EN300-9424653, FCH1800523, TX028P4J, Y3146064, Z1508999103, ZXC244264
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.18
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.916
- Polar surface area (Å)
- 47
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00010434141
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