2-Butynoic acid, ethyl ester


Chemical Name: 2-Butynoic acid, ethyl ester
CAS Number: 4341-76-8
Product Number: AG003790(AGN-PC-0JLR3P)
Synonyms:
MDL No:
Molecular Formula: C6H8O2
Molecular Weight: 112.1265

Identification/Properties


Properties
BP:
163°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.436(lit.)
Computed Properties
Molecular Weight:
112.128g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
112.052g/mol
Monoisotopic Mass:
112.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
135
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


NMR Spectrum


Other Analytical Data


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