3-Isoxazolecarboxylic acid, 5-acetyl-


Chemical Name: 3-Isoxazolecarboxylic acid, 5-acetyl-
CAS Number: 145441-17-4
Product Number: AG00HXF9(AGN-PC-01MNZ1)
Synonyms:
MDL No:
Molecular Formula: C6H5NO4
Molecular Weight: 155.1082

Identification/Properties


Computed Properties
Molecular Weight:
155.109g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
155.022g/mol
Monoisotopic Mass:
155.022g/mol
Topological Polar Surface Area:
80.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
191
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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