5-Furan-2-yl-isoxazole-3-carboxylic acid


Chemical Name: 5-Furan-2-yl-isoxazole-3-carboxylic acid
CAS Number: 98434-06-1
Product Number: AG003MS2(AGN-PC-0K0E5X)
Synonyms:
MDL No: MFCD04113954
Molecular Formula: C8H5NO4
Molecular Weight: 179.1296

Identification/Properties


Properties
MP:
151 °C
BP:
418.4°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.131g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
179.022g/mol
Monoisotopic Mass:
179.022g/mol
Topological Polar Surface Area:
76.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
208
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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