2-Butenedioic acid (2E)-


Chemical Name: 2-Butenedioic acid (2E)-
CAS Number: 110-17-8
Product Number: AG0034YI(AGN-PC-0P0BDK)
Synonyms:
MDL No:
Molecular Formula: C4H4O4
Molecular Weight: 116.0722

Identification/Properties


Properties
MP:
295-300 °C
BP:
355.5±25.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5260 (estimate)
Solubility:
95% ethanol: soluble0.46g/10 mL, clear, colorless
Computed Properties
Molecular Weight:
116.072g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
116.011g/mol
Monoisotopic Mass:
116.011g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
119
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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