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845727-14-2 | 1,3,4-Oxadiazolium, 2,3,5-trimethyl-, iodide
CAS No: 845727-14-2 Catalog No: AG0052FE MDL No:
Product Description
Catalog Number:
AG0052FE
Chemical Name:
1,3,4-Oxadiazolium, 2,3,5-trimethyl-, iodide
CAS Number:
845727-14-2
Molecular Formula:
C5H9IN2O
Molecular Weight:
240.0422
IUPAC Name:
2,3,5-trimethyl-1,3,4-oxadiazol-3-ium;iodide
InChI:
InChI=1S/C5H9N2O.HI/c1-4-6-7(3)5(2)8-4;/h1-3H3;1H/q+1;/p-1
InChI Key:
BZDCEKZSWJONCN-UHFFFAOYSA-M
SMILES:
Cc1oc([n+](n1)C)C.[I-]
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.976g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.044g/mol
Monoisotopic Mass:
239.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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