2-Butenoic acid, 3-methyl-, ethyl ester


Chemical Name: 2-Butenoic acid, 3-methyl-, ethyl ester
CAS Number: 638-10-8
Product Number: AG0034X4(AGN-PC-0084QE)
Synonyms:
MDL No:
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Properties
MP:
-62.68°C (estimate)
BP:
153.5°C
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.436(lit.)
Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
121
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


NMR Spectrum


Other Analytical Data


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