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


Chemical Name: 2-Pentenoic acid, 4-oxo-, methyl ester, (2E)-
CAS Number: 2833-24-1
Product Number: AG00BDBG(AGN-PC-0O8KIW)
Synonyms:
MDL No:
Molecular Formula: C6H8O3
Molecular Weight: 128.1259

Identification/Properties


Computed Properties
Molecular Weight:
128.127g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
128.047g/mol
Monoisotopic Mass:
128.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
146
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

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NMR Spectrum


Other Analytical Data


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