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Home > Other Heterocycles > 162-50-5
162-50-5 | Spiro[3H-naphtho[2,1-b]pyran-3,9'-[9H]thioxanthene]
CAS No: 162-50-5 Catalog No: AG001SLP MDL No:
Product Description
Catalog Number:
AG001SLP
Chemical Name:
Spiro[3H-naphtho[2,1-b]pyran-3,9'-[9H]thioxanthene]
CAS Number:
162-50-5
Molecular Formula:
C25H16OS
Molecular Weight:
364.4589
IUPAC Name:
spiro[benzo[f]chromene-3,9'-thioxanthene]
InChI:
InChI=1S/C25H16OS/c1-2-8-18-17(7-1)13-14-22-19(18)15-16-25(26-22)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-16H
InChI Key:
DBUMNYIQWUXNEI-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(C32C=Cc2c(O3)ccc3c2cccc3)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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