3(2H)-Isoxazolone, 5-(1-methylethyl)-


Chemical Name: 3(2H)-Isoxazolone, 5-(1-methylethyl)-
CAS Number: 10004-47-4
Product Number: AG0093U5(AGN-PC-00MAXP)
Synonyms:
MDL No:
Molecular Formula: C6H9NO2
Molecular Weight: 127.1412

Identification/Properties


Computed Properties
Molecular Weight:
127.143g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
127.063g/mol
Monoisotopic Mass:
127.063g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
160
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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