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116235-84-8 | Phenazinium, 1-methoxy-5-methyl-, methanesulfonate (1:1)
CAS No: 116235-84-8 Catalog No: AG000BZQ MDL No:
Product Description
Catalog Number:
AG000BZQ
Chemical Name:
Phenazinium, 1-methoxy-5-methyl-, methanesulfonate (1:1)
CAS Number:
116235-84-8
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
methanesulfonate;1-methoxy-5-methylphenazin-5-ium
InChI:
InChI=1S/C14H13N2O.CH4O3S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
CNSDPAKTXOAFGM-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.COc1cccc2c1nc1ccccc1[n+]2C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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