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24474-93-9 | 5(4H)-Oxazolone, 2-methyl-
CAS No: 24474-93-9 Catalog No: AG002O93 MDL No:MFCD28661804
Product Description
Catalog Number:
AG002O93
Chemical Name:
5(4H)-Oxazolone, 2-methyl-
CAS Number:
24474-93-9
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD28661804
IUPAC Name:
2-methyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2H2,1H3
InChI Key:
WKIXQUMETCNZKK-UHFFFAOYSA-N
SMILES:
O=C1CN=C(O1)C
NSC Number:
339473
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Simple b ions have cyclic oxazolone structures. A neutralization-reionization mass spectrometric and computational study of oxazolone radicals. | Journal of the American Society for Mass Spectrometry 20051201 |
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