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


Chemical Name: 5-Isoxazolecarboxylic acid, 3-methyl-, methyl ester
CAS Number: 1004-96-2
Product Number: AG0001WI(AGN-PC-0JL9Q9)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties


Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
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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