2-Butenedioic acid (2E)-, dibutyl ester


Chemical Name: 2-Butenedioic acid (2E)-, dibutyl ester
CAS Number: 105-75-9
Product Number: AG003811(AGN-PC-0OV5NS)
Synonyms:
MDL No:
Molecular Formula: C12H20O4
Molecular Weight: 228.2848

Identification/Properties


Computed Properties
Molecular Weight:
228.288g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
10
Exact Mass:
228.136g/mol
Monoisotopic Mass:
228.136g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
209
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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