2-Butenoic acid, methyl-


Chemical Name: 2-Butenoic acid, methyl-
CAS Number: 13201-46-2
Product Number: AG001032(AGN-PC-0BSKEL)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.1158

Identification/Properties


Computed Properties
Molecular Weight:
100.12g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
100.052429g/mol
Monoisotopic Mass:
100.052429g/mol
Topological Polar Surface Area:
37.3Ų
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
103
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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