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88820-04-6 | Quinoxaline, 5,6,7,8-tetrahydro-2-(2-thienyl)-, 1,4-dioxide
CAS No: 88820-04-6 Catalog No: AG004C4D MDL No:
Product Description
Catalog Number:
AG004C4D
Chemical Name:
Quinoxaline, 5,6,7,8-tetrahydro-2-(2-thienyl)-, 1,4-dioxide
CAS Number:
88820-04-6
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
4-oxido-3-thiophen-2-yl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide
InChI:
InChI=1S/C12H12N2O2S/c15-13-8-11(12-6-3-7-17-12)14(16)10-5-2-1-4-9(10)13/h3,6-8H,1-2,4-5H2
InChI Key:
HQMCNBHXLQSDFV-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(c[n+](c2c1CCCC2)[O-])c1cccs1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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