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89223-16-5 | 2-Phenazinol, 7-butyl-, 5,10-dioxide
CAS No: 89223-16-5 Catalog No: AG0043X5 MDL No:
Product Description
Catalog Number:
AG0043X5
Chemical Name:
2-Phenazinol, 7-butyl-, 5,10-dioxide
CAS Number:
89223-16-5
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
7-butyl-5,10-dioxidophenazine-5,10-diium-2-ol
InChI:
InChI=1S/C16H16N2O3/c1-2-3-4-11-5-7-13-15(9-11)17(20)14-8-6-12(19)10-16(14)18(13)21/h5-10,19H,2-4H2,1H3
InChI Key:
OZLUPCBOYPSNOQ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])cc(cc1)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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