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21758-86-1 | 1-(3-Oxido-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1?5-pyridin-1-ylium
CAS No: 21758-86-1 Catalog No: AG01EUJ3 MDL No:
Product Description
Catalog Number:
AG01EUJ3
Chemical Name:
1-(3-Oxido-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1?5-pyridin-1-ylium
CAS Number:
21758-86-1
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
3,4-dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate
InChI:
InChI=1S/C15H9NO3/c17-13-10-6-2-3-7-11(10)14(18)15(19)12(13)16-8-4-1-5-9-16/h1-9H
InChI Key:
GVGUDCCBZUEPTO-UHFFFAOYSA-N
SMILES:
O=C1C(=C([n+]2ccccc2)C(=O)c2c1cccc2)[O-]
NSC Number:
81054
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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