Home Other Building Blocks 96017-59-3
96017-59-3,MFCD00946863
Catalog No.:AA003HAD
96017-59-3 | 2-Hexyl-4-pentynoic Acid , 93%
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250mg
≥95%
1 week  
$92.00
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500mg
≥95%
1 week  
$124.00
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1g
≥95%
1 week  
$158.00
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5g
≥95%
1 week  
$257.00
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25g
>95.0%(T)
1 week  
$897.00
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Technical Information
Catalog Number:
AA003HAD
Chemical Name:
2-Hexyl-4-pentynoic Acid , 93%
CAS Number:
96017-59-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD00946863
IUPAC Name:
2-prop-2-ynyloctanoic acid
InChI:
InChI=1S/C11H18O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h2,10H,3,5-9H2,1H3,(H,12,13)
InChI Key:
DUQSBRQHALCSLC-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)O)CC#C
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
2-hexyl-4-pentynoic acid 
96017-59-3 
2-(prop-2-ynyl)octanoic acid 
AC1L41N1 
SCHEMBL3857718 
CTK3J4626 
2-Hexyl-4-pentynoic Acid , 93% 
ANW-40787 
BN0816 
MFCD00946863 
Octanoic acid,2-(2-propyn-1-yl)- 
AKOS015837674 
2-Hexyl-4-pentynoic Acid 
2-Hexyl-4-pentynoic acid, AldrichCPR 
RTR-030109 
VZ25011 
TR-030109 
FT-0642317 
A845531 
CID175664 
H0964 
2-(2-Propynyl)octanoic Acid 
2-N-HEXYL-4-PENTYNOIC ACID 
2-(prop-2-yn-1-yl)octanoic acid 
2-prop-2-ynyloctanoic Acid 
Octanoic acid, 2-(2-propyn-1-yl)- 
2-Propargyloctanoic Acid 
ACMC-209s6d 
Literature

Title: Potent neuroprotective effects of novel structural derivatives of valproic acid: potential roles of HDAC inhibition and HSP70 induction.

Journal: Neuroscience letters 20100607

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