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1517-96-0 | 5(4H)-Isoxazolone, 3-methyl-
CAS No: 1517-96-0 Catalog No: AG007E0J MDL No:
Product Description
Catalog Number:
AG007E0J
Chemical Name:
5(4H)-Isoxazolone, 3-methyl-
CAS Number:
1517-96-0
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
IUPAC Name:
3-methyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C4H5NO2/c1-3-2-4(6)7-5-3/h2H2,1H3
InChI Key:
PYUQCOIVVOLGJK-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1)C
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:
0.1
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