Butynal


Chemical Name: Butynal
CAS Number: 1119-19-3
Product Number: AG00840K(AGN-PC-0JMP51)
Synonyms:
MDL No:
Molecular Formula: C4H4O
Molecular Weight: 68.0740

Identification/Properties


Computed Properties
Molecular Weight:
68.075g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
68.026g/mol
Monoisotopic Mass:
68.026g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
80.3
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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