7-Oxabicyclo[2.2.1]heptan-2-ol (endo/exo Mixture) - CAS 253876-00-5
Catalog: |
BB066198 |
Product Name: |
7-Oxabicyclo[2.2.1]heptan-2-ol (endo/exo Mixture) |
CAS: |
253876-00-5 |
Synonyms: |
7-oxabicyclo[2.2.1]heptan-2-ol; endo-7-oxanorbornan-2-ol |
IUPAC Name: | 7-oxabicyclo[2.2.1]heptan-2-ol |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | C1CC2C(CC1O2)O |
InChI: | InChI=1S/C6H10O2/c7-5-3-4-1-2-6(5)8-4/h4-7H,1-3H2 |
InChI Key: | DXJWCIYSWHNWHQ-UHFFFAOYSA-N |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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