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917750-54-0 | 2,3,6,7-Tetrahydro-7-thioxo-1,4-dioxino[2,3-g]quinoline-8-carbonitrile
CAS No: 917750-54-0 Catalog No: AG01EZ8Z MDL No:
Product Description
Catalog Number:
AG01EZ8Z
Chemical Name:
2,3,6,7-Tetrahydro-7-thioxo-1,4-dioxino[2,3-g]quinoline-8-carbonitrile
CAS Number:
917750-54-0
Molecular Formula:
C12H8N2O2S
Molecular Weight:
244.2691
IUPAC Name:
7-sulfanylidene-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
InChI:
InChI=1S/C12H8N2O2S/c13-6-8-3-7-4-10-11(16-2-1-15-10)5-9(7)14-12(8)17/h3-5H,1-2H2,(H,14,17)
InChI Key:
DHGDMUNNRICMBN-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc3OCCOc3cc2nc1S
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.268g/mol
Monoisotopic Mass:
244.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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