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Home > Quinoline > 875419-53-7
875419-53-7 | 9-phenyl-2H,3H-[1,4]dioxino[2,3-g]quinoline-7-thiol
CAS No: 875419-53-7 Catalog No: AG019OQH MDL No:MFCD07366430
Product Description
Catalog Number:
AG019OQH
Chemical Name:
9-phenyl-2H,3H-[1,4]dioxino[2,3-g]quinoline-7-thiol
CAS Number:
875419-53-7
Molecular Formula:
C17H13NO2S
Molecular Weight:
295.3556
MDL Number:
MFCD07366430
IUPAC Name:
9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-7-thione
InChI:
InChI=1S/C17H13NO2S/c21-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)20-7-6-19-15/h1-5,8-10H,6-7H2,(H,18,21)
InChI Key:
MKGMUPKDUUQJPJ-UHFFFAOYSA-N
SMILES:
Sc1nc2cc3OCCOc3cc2c(c1)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.356g/mol
Monoisotopic Mass:
295.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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