2-Butynoic acid


Chemical Name: 2-Butynoic acid
CAS Number: 590-93-2
Product Number: AG00371C(AGN-PC-0JL8IY)
Synonyms:
MDL No:
Molecular Formula: C4H4O2
Molecular Weight: 84.0734

Identification/Properties


Properties
MP:
78-80 °C(lit.)
BP:
203°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.3918 (estimate)
Solubility:
water: soluble50mg/mL, clear to very slightly hazy, colorless to very faintly yellow
Computed Properties
Molecular Weight:
84.074g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
84.021g/mol
Monoisotopic Mass:
84.021g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
112
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#:
3261
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P260-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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