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83785-23-3 | Cyclohexanone, 2-(1,3-benzodithiol-2-ylidene)-
CAS No: 83785-23-3 Catalog No: AG004SLJ MDL No:
Product Description
Catalog Number:
AG004SLJ
Chemical Name:
Cyclohexanone, 2-(1,3-benzodithiol-2-ylidene)-
CAS Number:
83785-23-3
Molecular Formula:
C13H12OS2
Molecular Weight:
248.3638
IUPAC Name:
2-(1,3-benzodithiol-2-ylidene)cyclohexan-1-one
InChI:
InChI=1S/C13H12OS2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6H2
InChI Key:
WEZQVSSQYIPUPZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1=C1Sc2c(S1)cccc2
Properties
Complexity:
319
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:
3.6
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