2-Propenoic acid, 3-(1H-imidazol-4-yl)-


Chemical Name: 2-Propenoic acid, 3-(1H-imidazol-4-yl)-
CAS Number: 104-98-3
Product Number: AG003HZB(AGN-PC-0NVYHT)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O2
Molecular Weight: 138.1240

Identification/Properties


Properties
MP:
226-228 °C(lit.);
BP:
456.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5100 (estimate)
Solubility:
1.5g/l
Computed Properties
Molecular Weight:
138.126g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
138.043g/mol
Monoisotopic Mass:
138.043g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
156
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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