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2-Octynal

CAS No.:
1846-68-0
Catalog Number:
AG003HTR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003HTR
Chemical Name:
2-Octynal
CAS Number:
1846-68-0
MDL Number:
MFCD00134098
IUPAC Name:
oct-2-ynal
InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3
InChI Key:
DUUGWLGPIZCNLM-UHFFFAOYSA-N
EC Number:
217-427-5
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Enantioselective syntheses of (R)- and (S)-argentilactone and their cytotoxic activities against cancer cell lines. Bioorganic & medicinal chemistry 20041015
Properties