Basic information
- CAS
99827-44-8- Standard SMILES
C[C@H](CO)C12CC[C@@](C)(O1)[C@@H](OCc1ccccc1C(=O)O)C2- InChIKey
YOGGXQIGRTZOQH-SIYGNZJNSA-N- Molecular formula
- C18H24O5
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16237386
Names & identifiers
- Preferred name
- 2-(((1R,2S)-4-((2R)-1-Hydroxypropan-2-yl)-1-methyl-7-oxabicyclo(2.2.1)heptan-2-yl)oxymethyl)benzoic acid
- IUPAC
- 2-[[(1R,2S)-4-[(2R)-1-hydroxypropan-2-yl]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
Names & synonyms
99827-44-82-(((1R,2S)-4-((2R)-1-Hydroxypropan-2-yl)-1-methyl-7-oxabicyclo(2.2.1)heptan-2-yl)oxymethyl)benzoic acidBenzoic acid, 2-(((4-(2-hydroxy-1-methylethyl)-1-methyl-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, (1alpha,2alpha,4alpha,4(R*))-
Database identifiers
- CAS
99827-44-8- PubChem CID
- 188652
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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