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Basic Description
| Synonyms | SCHEMBL1480357 | [(1R,2R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol | 5-Norbornene-2-exo,3-exo-dimethanol, >/=97% | rel-(1R,2R,3S,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol | IGHHPVIMEQGKNE-OJOKCITNSA-N | T72846 | (1R,2R,3S,4S)-bic |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Alcohols and polyols
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Primary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Hydrocarbon derivative - Primary alcohol - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504766794 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766794 |
| IUPAC Name | [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| INCHI | InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9- |
| InChIKey | IGHHPVIMEQGKNE-OJOKCITNSA-N |
| Smiles | C1C2C=CC1C(C2CO)CO |
| Isomeric SMILES | C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2CO)CO |
| Molecular Weight | 154.21 |
| Beilstein | 6(4)5531 |
| Reaxy-Rn | 5249192 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5249192&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 |
|---|---|---|---|
 B2105117 |
Certificate of Analysis | Dec 17, 2024 | N159358 |
| B2105118 |
Certificate of Analysis | Dec 11, 2024 | N159358 |
| H2420510 |
Certificate of Analysis | Aug 12, 2024 | N159358 |
| H2420543 |
Certificate of Analysis | Aug 12, 2024 | N159358 |
| H2420511 |
Certificate of Analysis | Aug 12, 2024 | N159358 |
| H2420529 |
Certificate of Analysis | Aug 12, 2024 | N159358 |
Chemical and Physical Properties
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°C) | 113°C |
| Boil Point(°C) | 97°C/20mmHg |
| Melt Point(°C) | 53 °C |
| Molecular Weight | 154.210 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.099 Da |
| Monoisotopic Mass | 154.099 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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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