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2-HEPTYNE

CAS No.:
1119-65-9
Catalog Number:
AG003HCY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003HCY
Chemical Name:
2-HEPTYNE
CAS Number:
1119-65-9
MDL Number:
MFCD00039970
IUPAC Name:
hept-2-yne
InChI:
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3
InChI Key:
AMSFEMSYKQQCHL-UHFFFAOYSA-N
EC Number:
214-285-6
NSC Number:
63874
Properties
Complexity:
78.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Design and studies of novel 5-substituted alkynylpyrimidine nucleosides as potent inhibitors of mycobacteria. Journal of medicinal chemistry 20051103
Selenoxides inhibit delta-aminolevulinic acid dehydratase. Toxicology letters 20010203
Properties