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Hex-1-yn-3-ol

CAS No.:
105-31-7
Catalog Number:
AG003EE4
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
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Product Description
Catalog Number:
AG003EE4
Chemical Name:
Hex-1-yn-3-ol
CAS Number:
105-31-7
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD00014408
IUPAC Name:
hex-1-yn-3-ol
InChI:
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
InChI Key:
LTFTWJYRQNTCHI-UHFFFAOYSA-N
SMILES:
CCCC(C#C)O
EC Number:
203-286-7
UNII:
R9B2WH0KBL
NSC Number:
244896
Properties
Complexity:
77.4  
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:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Toxicity of propargylic alcohols on green alga--Pseudokirchneriella subcapitata. Journal of environmental monitoring : JEM 20120101
Properties