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Basic Description
| Synonyms | exo-Bicyclo[2.2.1]heptan-2-ol | AKOS000136085 | Bicyclo(2.2.1)heptan-2-ol, (1R,2R,4S)-rel- | E88488 | EXO-2-HYDROXYBICYCLO(2.2.1)HEPTANE | SMR000001192 | exo-Bicyclo[2.2.1]heptan-1-ol | NSC 167460 | exo-Norbornanol | exo-Norborneol | EINECS 207-845-6 | Q6 |
|---|---|
| Specifications & Purity | ≥98%(GC) |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bicyclic monoterpenoids |
| Alternative Parents | Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Bicyclic monoterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504765921 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765921 |
| IUPAC Name | (1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol |
| INCHI | InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m1/s1 |
| InChIKey | ZQTYQMYDIHMKQB-VQVTYTSYSA-N |
| Smiles | C1CC2CC1CC2O |
| Isomeric SMILES | C1C[C@H]2C[C@@H]1C[C@@H]2O |
| WGK Germany | 3 |
| Molecular Weight | 112.17 |
| Beilstein | 6(4)213 |
| Reaxy-Rn | 2036611 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036611&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F23271244 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| F23271251 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| F23271242 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| F23271243 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| F23271249 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| F23271250 |
Certificate of Analysis | Jul 03, 2023 | E156041 |
| C2209464 |
Certificate of Analysis | Mar 15, 2022 | E156041 |
| C2209387 |
Certificate of Analysis | Mar 15, 2022 | E156041 |
| C2209376 |
Certificate of Analysis | Mar 15, 2022 | E156041 |
| C1819087 |
Certificate of Analysis | Jan 27, 2022 | E156041 |
Chemical and Physical Properties
| Solubility | Soluble in Methanol |
|---|---|
| Boil Point(°C) | 177°C(lit.) |
| Melt Point(°C) | 128 °C |
| Molecular Weight | 112.170 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.089 Da |
| Monoisotopic Mass | 112.089 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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