5-Hexynoic acid


Chemical Name: 5-Hexynoic acid
CAS Number: 53293-00-8
Product Number: AG0034A6(AGN-PC-0JMT09)
Synonyms:
MDL No:
Molecular Formula: C6H8O2
Molecular Weight: 112.1265

Identification/Properties


Properties
MP:
27°C (estimate)
BP:
220.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.449(lit.)
Computed Properties
Molecular Weight:
112.128g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
112.052g/mol
Monoisotopic Mass:
112.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
118
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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