3-Pentenoic acid, (3E)-


Chemical Name: 3-Pentenoic acid, (3E)-
CAS Number: 1617-32-9
Product Number: AG001VTG(AGN-PC-0O4MDR)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.1158

Identification/Properties


Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
100.052g/mol
Monoisotopic Mass:
100.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
84.1
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


NMR Spectrum


Other Analytical Data


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