Butanedioic acid, methyl-


Chemical Name: Butanedioic acid, methyl-
CAS Number: 498-21-5
Product Number: AG0032A1(AGN-PC-004C59)
Synonyms:
MDL No:
Molecular Formula: C5H8O4
Molecular Weight: 132.1146

Identification/Properties


Properties
MP:
110-115 °C
BP:
236.5 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4240 (estimate)
Computed Properties
Molecular Weight:
132.115g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
132.042g/mol
Monoisotopic Mass:
132.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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