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20600-69-5 | 1,2,3-Oxadiazolium, 3-cyclohexyl-5-hydroxy-, inner salt
CAS No: 20600-69-5 Catalog No: AG002AGI MDL No:
Product Description
Catalog Number:
AG002AGI
Chemical Name:
1,2,3-Oxadiazolium, 3-cyclohexyl-5-hydroxy-, inner salt
CAS Number:
20600-69-5
IUPAC Name:
3-cyclohexyloxadiazol-3-ium-5-olate
InChI:
InChI=1S/C8H12N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChI Key:
LBWGAPRXZZUQPR-UHFFFAOYSA-N
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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