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Hex-2-yn-1-ol

CAS No.:
764-60-3
Catalog Number:
AG003QVB
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
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Product Description
Catalog Number:
AG003QVB
Chemical Name:
Hex-2-yn-1-ol
CAS Number:
764-60-3
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD00039540
IUPAC Name:
hex-2-yn-1-ol
InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3
InChI Key:
BTDWSZJDLLLTMI-UHFFFAOYSA-N
SMILES:
CCCC#CCO
EC Number:
212-128-6
Properties
Complexity:
82.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Solid phase microextraction of volatile organic compounds released from leaves, roots and gum of Astragalus microcephalus Willd., followed by GC and GC/MS analysis. Natural product research 20081201
Properties