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142022-84-2 | Chryseno[4,5-bcd]thiophene, 4,4-dioxide (9CI)
CAS No: 142022-84-2 Catalog No: AG001HLE MDL No:
Product Description
Catalog Number:
AG001HLE
Chemical Name:
Chryseno[4,5-bcd]thiophene, 4,4-dioxide (9CI)
CAS Number:
142022-84-2
Molecular Formula:
C18H10O2S
Molecular Weight:
290.3358
IUPAC Name:
19λ6-thiapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),10,12(17),13,15-nonaene 19,19-dioxide
InChI:
InChI=1S/C18H10O2S/c19-21(20)15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(21)18(14)17(11)15/h1-10H
InChI Key:
SQZIOTVJQHRZMG-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.04g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.336g/mol
Monoisotopic Mass:
290.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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