3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, methyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, methyl ester
CAS Number: 104149-61-3
Product Number: AG007WEE(AGN-PC-0KLABF)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4
Molecular Weight: 183.1614

Identification/Properties


Computed Properties
Molecular Weight:
183.163g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
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:
228
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

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NMR Spectrum


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