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88656-17-1 | Cyclohepta[c]thiopyran-3(9H)-one, 1,4-diphenyl-
CAS No: 88656-17-1 Catalog No: AG0048IU MDL No:
Product Description
Catalog Number:
AG0048IU
Chemical Name:
Cyclohepta[c]thiopyran-3(9H)-one, 1,4-diphenyl-
CAS Number:
88656-17-1
Molecular Formula:
C22H16OS
Molecular Weight:
328.4268
IUPAC Name:
1,4-diphenyl-9H-cyclohepta[c]thiopyran-3-one
InChI:
InChI=1S/C22H16OS/c23-22-20(16-10-4-1-5-11-16)18-14-8-3-9-15-19(18)21(24-22)17-12-6-2-7-13-17/h1-14H,15H2
InChI Key:
ASCUENONMSPZCQ-UHFFFAOYSA-N
SMILES:
O=c1sc(c2ccccc2)c2c(c1c1ccccc1)C=CC=CC2
Properties
Complexity:
622
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:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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