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159734-83-5 | 5(2H)-Oxazolone, 2,2-dimethyl-, 3-oxide
CAS No: 159734-83-5 Catalog No: AG007W7Q MDL No:
Product Description
Catalog Number:
AG007W7Q
Chemical Name:
5(2H)-Oxazolone, 2,2-dimethyl-, 3-oxide
CAS Number:
159734-83-5
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
IUPAC Name:
2,2-dimethyl-3-oxido-1,3-oxazol-3-ium-5-one
InChI:
InChI=1S/C5H7NO3/c1-5(2)6(8)3-4(7)9-5/h3H,1-2H3
InChI Key:
KXGZOSDLSXBKSB-UHFFFAOYSA-N
SMILES:
O=C1OC([N+](=C1)[O-])(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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