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84548-74-3 | Benzo(5,6)phenaleno(1,9-bc)thiophene
CAS No: 84548-74-3 Catalog No: AG0053W3 MDL No:
Product Description
Catalog Number:
AG0053W3
Chemical Name:
Benzo(5,6)phenaleno(1,9-bc)thiophene
CAS Number:
84548-74-3
Molecular Formula:
C18H10S
Molecular Weight:
258.3370
IUPAC Name:
13-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene
InChI:
InChI=1S/C18H10S/c1-2-4-14-11(3-1)9-12-6-8-16-18-13(10-19-16)5-7-15(14)17(12)18/h1-10H
InChI Key:
NWJOUMRGNOOYFF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c3c2ccc2c3c(cc1)sc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.338g/mol
Monoisotopic Mass:
258.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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