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Home > Other Heterocycles > 162-64-1
162-64-1 | Spiro[1,3-benzodioxole-2,9'-[9H]thioxanthene] (9CI)
CAS No: 162-64-1 Catalog No: AG001SLO MDL No:
Product Description
Catalog Number:
AG001SLO
Chemical Name:
Spiro[1,3-benzodioxole-2,9'-[9H]thioxanthene] (9CI)
CAS Number:
162-64-1
Molecular Formula:
C19H12O2S
Molecular Weight:
304.3624
IUPAC Name:
spiro[1,3-benzodioxole-2,9'-thioxanthene]
InChI:
InChI=1S/C19H12O2S/c1-5-11-17-13(7-1)19(14-8-2-6-12-18(14)22-17)20-15-9-3-4-10-16(15)21-19/h1-12H
InChI Key:
JUKZXYUVQJHQKE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(C32Oc2c(O3)cccc2)cccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.363g/mol
Monoisotopic Mass:
304.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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