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Home > Other Heterocycles > 26363-21-3
26363-21-3 | Spiro[1,3-dithiane-2,1'(4'H)-naphthalen]-4'-one
CAS No: 26363-21-3 Catalog No: AG002SVX MDL No:
Product Description
Catalog Number:
AG002SVX
Chemical Name:
Spiro[1,3-dithiane-2,1'(4'H)-naphthalen]-4'-one
CAS Number:
26363-21-3
Molecular Formula:
C13H12OS2
Molecular Weight:
248.3638
IUPAC Name:
spiro[1,3-dithiane-2,4'-naphthalene]-1'-one
InChI:
InChI=1S/C13H12OS2/c14-12-6-7-13(15-8-3-9-16-13)11-5-2-1-4-10(11)12/h1-2,4-7H,3,8-9H2
InChI Key:
MMJVUZQEBBUABD-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(c3c1cccc3)SCCCS2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.358g/mol
Monoisotopic Mass:
248.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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