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120-06-9 | 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
CAS No: 120-06-9 Catalog No: AG000Q0D MDL No:MFCD00205029
Product Description
Catalog Number:
AG000Q0D
Chemical Name:
1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
CAS Number:
120-06-9
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00205029
IUPAC Name:
3-phenyloxadiazol-3-ium-5-olate
InChI:
InChI=1S/C8H6N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
KQEVEDHJIGSXDK-UHFFFAOYSA-N
SMILES:
[O-]c1on[n+](c1)c1ccccc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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