(1R,3S)-2,2-dimethylcyclopentane-1,3-diol
- Iupac Name：(1R,3S)-2,2-dimethylcyclopentane-1,3-diol
- CAS No.: 1333211-04-3
- Molecular Weight：130.18
- Modify Date.: 2022-07-23 10:47
2. Computational chemical data
- Molecular Weight: 130.18g/mol
- Molecular Formula: C7H14O2
- Compound Is Canonicalized: True
- XLogP3-AA: 0.7
- Exact Mass: 130.099379685
- Monoisotopic Mass: 130.099379685
- Complexity: 97.5
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 40.5
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAFAAAAAAHAQBAPAAAAAAAAAAAAAAAAAAAAAAQABAAAAA==
4. Realated Product Infomation
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