4-Isoxazoleethanol


Chemical Name: 4-Isoxazoleethanol
CAS Number: 884504-75-0
Product Number: AG004IO6(AGN-PC-01A0LE)
Synonyms:
MDL No:
Molecular Formula: C5H7NO2
Molecular Weight: 113.1146

Identification/Properties


Properties
BP:
235.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
113.116g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
113.048g/mol
Monoisotopic Mass:
113.048g/mol
Topological Polar Surface Area:
46.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
67.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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