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18965-43-0 | 6H-Cyclohepta[b]quinoxaline, 7,8,9,10-tetrahydro-, 5,11-dioxide
CAS No: 18965-43-0 Catalog No: AG002DV6 MDL No:
Product Description
Catalog Number:
AG002DV6
Chemical Name:
6H-Cyclohepta[b]quinoxaline, 7,8,9,10-tetrahydro-, 5,11-dioxide
CAS Number:
18965-43-0
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
11-oxido-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoxalin-5-ium 5-oxide
InChI:
InChI=1S/C13H14N2O2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h4-5,8-9H,1-3,6-7H2
InChI Key:
ZAXOLBARZSUKTN-UHFFFAOYSA-N
SMILES:
[O-][n+]1c2CCCCCc2[n+](c2c1cccc2)[O-]
NSC Number:
300525
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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