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Home > Other Heterocycles > 166258-19-1
166258-19-1 | Spiro[2H-naphtho[1,2-b]pyran-2,9'-[9H]thioxanthene]
CAS No: 166258-19-1 Catalog No: AG001WL8 MDL No:
Product Description
Catalog Number:
AG001WL8
Chemical Name:
Spiro[2H-naphtho[1,2-b]pyran-2,9'-[9H]thioxanthene]
CAS Number:
166258-19-1
Molecular Formula:
C25H16OS
Molecular Weight:
364.4589
IUPAC Name:
spiro[benzo[h]chromene-2,9'-thioxanthene]
InChI:
InChI=1S/C25H16OS/c1-2-8-19-17(7-1)13-14-18-15-16-25(26-24(18)19)20-9-3-5-11-22(20)27-23-12-6-4-10-21(23)25/h1-16H
InChI Key:
RPAJAIKEGZZCQW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(C32C=Cc2c(O3)c3ccccc3cc2)cccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.092g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.462g/mol
Monoisotopic Mass:
364.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Ring contraction during the 6pi-electrocyclisation of naphthopyran valence tautomers. | Organic & biomolecular chemistry 20080907 |
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