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Oct-2-yn-1-ol

CAS No.:
20739-58-6
Catalog Number:
AG002J1C
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG002J1C
Chemical Name:
Oct-2-yn-1-ol
CAS Number:
20739-58-6
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00039542
IUPAC Name:
oct-2-yn-1-ol
InChI:
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3
InChI Key:
TTWYFVOMGMBZCF-UHFFFAOYSA-N
SMILES:
CCCCCC#CCO
EC Number:
606-616-1
NSC Number:
203012
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and biological activities of novel structural analogues of 2-arachidonoylglycerol, an endogenous cannabinoid receptor ligand. Bioorganic & medicinal chemistry letters 20010806
Identification of potent odorants formed by autoxidation of arachidonic acid: structure elucidation and synthesis of (E,Z,Z)-2,4,7-tridecatrienal. Journal of agricultural and food chemistry 20010601
Properties