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16294-75-0 | 14H-Anthra[2，1，9-mna]thioxanthen-14-one
CAS No: 16294-75-0 Catalog No: AG001TK0 MDL No:MFCD00800439
Product Description
Catalog Number:
AG001TK0
Chemical Name:
14H-Anthra[2，1，9-mna]thioxanthen-14-one
CAS Number:
16294-75-0
Molecular Formula:
C23H12OS
Molecular Weight:
336.4058
MDL Number:
MFCD00800439
IUPAC Name:
8-thiahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaen-19-one
InChI:
InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H
InChI Key:
NVNWZZLOQBHTCW-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2c2c3c1ccc1c3c(cc2)sc2c1cccc2
EC Number:
240-385-4
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.408g/mol
Monoisotopic Mass:
336.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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