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150991-99-4 | 5-Isoxazolol, 4-methyl-
CAS No: 150991-99-4 Catalog No: AG001MYX MDL No:
Product Description
Catalog Number:
AG001MYX
Chemical Name:
5-Isoxazolol, 4-methyl-
CAS Number:
150991-99-4
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
IUPAC Name:
4-methyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C4H5NO2/c1-3-2-5-7-4(3)6/h2,5H,1H3
InChI Key:
FNZPCNWFHDHRKN-UHFFFAOYSA-N
SMILES:
Cc1cnoc1O
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:
1
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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