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2809-67-8,MFCD00027302
Catalog No.:AA003HR0
2809-67-8 | 2-Octyne
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Technical Information
Catalog Number:
AA003HR0
Chemical Name:
2-Octyne
CAS Number:
2809-67-8
MDL Number:
MFCD00027302
IUPAC Name:
oct-2-yne
InChI:
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3
InChI Key:
QCQALVMFTWRCFI-UHFFFAOYSA-N
EC Number:
220-553-3
Properties
Computed Properties
 
Complexity:
89.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.11g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.2g/mol
Monoisotopic Mass:
110.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
2-OCTYNE 
2809-67-8 
ACMC-209h0u 
n-C5H11C.equiv.CCH3 
CTK1A4860 
DTXSID10182366 
QCQALVMFTWRCFI-UHFFFAOYSA-N 
7930AF 
ANW-26332 
MFCD00027302 
ZINC66377766 
AKOS015841152 
Oct-2-yne 
ACM2809678 
FCH1115662 
CC-11728 
DB-047337 
TR-012473 
FT-0613251 
O0125 
C-00405 
J-016969 
I14-60228 
2-Octyne, 97%, stabilized 
InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H 
n-octane 
C8H14 
CID17769 
C8-H14 
OCT 
n-C5H11C.$.CCH3 
Amylmethylacetylene 
Methylpentylacetylene 
EINECS 220-553-3 
AC1L2ANB 
2-Octyne, 97% 
Literature

Title: Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis.

Journal: Journal of autoimmunity 20060801

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