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83259-37-4 | 1-(Isoxazol-4-yl);ethanone
CAS No: 83259-37-4 Catalog No: AG004U93 MDL No:MFCD18829046
Product Description
Catalog Number:
AG004U93
Chemical Name:
1-(Isoxazol-4-yl);ethanone
CAS Number:
83259-37-4
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD18829046
IUPAC Name:
1-(1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C5H5NO2/c1-4(7)5-2-6-8-3-5/h2-3H,1H3
InChI Key:
PULYCJGJKAKCPU-UHFFFAOYSA-N
SMILES:
CC(=O)c1conc1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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