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185445-01-6 | Ethanone, 1-(1,2,4-oxadiazol-5-yl)-
CAS No: 185445-01-6 Catalog No: AG0034TM MDL No:
Product Description
Catalog Number:
AG0034TM
Chemical Name:
Ethanone, 1-(1,2,4-oxadiazol-5-yl)-
CAS Number:
185445-01-6
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
IUPAC Name:
1-(1,2,4-oxadiazol-5-yl)ethanone
InChI:
InChI=1S/C4H4N2O2/c1-3(7)4-5-2-6-8-4/h2H,1H3
InChI Key:
NLRLBOFKWANQLW-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncno1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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