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89805-88-9 | Methanone, phenyl(1-phenyl-1H-2-benzothiopyran-1-yl)-
CAS No: 89805-88-9 Catalog No: AG003ZHG MDL No:
Product Description
Catalog Number:
AG003ZHG
Chemical Name:
Methanone, phenyl(1-phenyl-1H-2-benzothiopyran-1-yl)-
CAS Number:
89805-88-9
Molecular Formula:
C22H16OS
Molecular Weight:
328.4268
IUPAC Name:
phenyl-(1-phenylisothiochromen-1-yl)methanone
InChI:
InChI=1S/C22H16OS/c23-21(18-10-3-1-4-11-18)22(19-12-5-2-6-13-19)20-14-8-7-9-17(20)15-16-24-22/h1-16H
InChI Key:
FIXNJQQFXLBUNA-UHFFFAOYSA-N
SMILES:
O=C(C1(SC=Cc2c1cccc2)c1ccccc1)c1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.429g/mol
Monoisotopic Mass:
328.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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