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Home > Other Heterocycles > 6710-97-0
6710-97-0 | Spiro[1,3-dithiolane-2,1'(4'H)-naphthalen]-4'-one
CAS No: 6710-97-0 Catalog No: AG005R55 MDL No:
Product Description
Catalog Number:
AG005R55
Chemical Name:
Spiro[1,3-dithiolane-2,1'(4'H)-naphthalen]-4'-one
CAS Number:
6710-97-0
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
IUPAC Name:
spiro[1,3-dithiolane-2,4'-naphthalene]-1'-one
InChI:
InChI=1S/C12H10OS2/c13-11-5-6-12(14-7-8-15-12)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChI Key:
BIAZZZRLOLYAIS-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(c3c1cccc3)SCCS2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.331g/mol
Monoisotopic Mass:
234.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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