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18274-55-0 | 1-Phenazinol, 5,10-dioxide
CAS No: 18274-55-0 Catalog No: AG002440 MDL No:
Product Description
Catalog Number:
AG002440
Chemical Name:
1-Phenazinol, 5,10-dioxide
CAS Number:
18274-55-0
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
IUPAC Name:
5,10-dioxidophenazine-5,10-diium-1-ol
InChI:
InChI=1S/C12H8N2O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
InChI Key:
PSKNAVYZFQCMQE-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1[n+]([O-])c1c([n+]2[O-])cccc1
NSC Number:
328402
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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