3-Isoxazolecarboxylic acid, 5-acetyl-, ethyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-acetyl-, ethyl ester
CAS Number: 104776-70-7
Product Number: AG008V45(AGN-PC-0KK7RH)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4
Molecular Weight: 183.1614

Identification/Properties


Computed Properties
Molecular Weight:
183.163g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
183.053g/mol
Monoisotopic Mass:
183.053g/mol
Topological Polar Surface Area:
69.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
216
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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