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68659-04-1 | Ethanone, 1,1-(3,5-isoxazolediyl)bis- (9CI)
CAS No: 68659-04-1 Catalog No: AG00FO1Q MDL No:
Product Description
Catalog Number:
AG00FO1Q
Chemical Name:
Ethanone, 1,1-(3,5-isoxazolediyl)bis- (9CI)
CAS Number:
68659-04-1
IUPAC Name:
1-(3-acetyl-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C7H7NO3/c1-4(9)6-3-7(5(2)10)11-8-6/h3H,1-2H3
InChI Key:
YHEAMHBYAKQKGK-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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