2-Butenoic acid, 4-amino-4-oxo-, (2Z)-


Chemical Name: 2-Butenoic acid, 4-amino-4-oxo-, (2Z)-
CAS Number: 557-24-4
Product Number: AG00354A(AGN-PC-0OC9DG)
Synonyms:
MDL No:
Molecular Formula: C4H5NO3
Molecular Weight: 115.0874

Identification/Properties


Properties
MP:
158-161 °C(lit.)
BP:
215.33°C (rough estimate)
Storage:
Light sensitive;Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4170 (estimate)
Computed Properties
Molecular Weight:
115.088g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
115.027g/mol
Monoisotopic Mass:
115.027g/mol
Topological Polar Surface Area:
80.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
138
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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