2-Butenoic acid, 4-oxo-, methyl ester, (2E)-


Chemical Name: 2-Butenoic acid, 4-oxo-, methyl ester, (2E)-
CAS Number: 5837-72-9
Product Number: AG003QP1(AGN-PC-0OCPX0)
Synonyms:
MDL No:
Molecular Formula: C5H6O3
Molecular Weight: 114.09934

Identification/Properties


Properties
MP:
40℃
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
114.1g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
114.032g/mol
Monoisotopic Mass:
114.032g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
115
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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