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5-Norbornene-2,2-dimethanol - ≥95.0%(GC), high purity , CAS No.6707-12-6
Basic Description
Synonyms
FT-0694858 | 2,2-di-hydroxymethyl-norborn-5-ene | 2,2-bishydroxymethyl-5-norbornene | 5-Norbornene-2,2-dimethanol | Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol | Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol | DTXSID30884330 | [2-(hydroxymethyl)-2-bicyclo[2.2.1
Specifications & Purity
≥95%(GC)
Shipped In
Normal
Taxonomic Classification
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488187453
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187453
IUPAC Name
[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
INCHI
InChI=1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2
InChIKey
DSHXMENPUICESR-UHFFFAOYSA-N
Smiles
C1C2CC(C1C=C2)(CO)CO
Isomeric SMILES
C1C2CC(C1C=C2)(CO)CO
Molecular Weight
154.21
Beilstein
6(3)4171
Reaxy-Rn
1862970
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862970&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
112 °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
182.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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B2316222