Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate


Chemical Name: Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
CAS Number: 133827-50-6
Product Number: AG00HT0S(AGN-PC-0WCV87)
Synonyms:
MDL No: MFCD24394828
Molecular Formula: C7H9NO4
Molecular Weight: 171.1507

Identification/Properties


Computed Properties
Molecular Weight:
171.152g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
171.053g/mol
Monoisotopic Mass:
171.053g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
256
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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