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20841-54-7 | Benzo[b]naphtho[2,3-d]thiophen-7(8H)-one, 9,10-dihydro-
CAS No: 20841-54-7 Catalog No: AG002JOG MDL No:
Product Description
Catalog Number:
AG002JOG
Chemical Name:
Benzo[b]naphtho[2,3-d]thiophen-7(8H)-one, 9,10-dihydro-
CAS Number:
20841-54-7
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one
InChI:
InChI=1S/C16H12OS/c17-14-6-3-4-10-8-13-11-5-1-2-7-15(11)18-16(13)9-12(10)14/h1-2,5,7-9H,3-4,6H2
InChI Key:
MTZCPXOPDRAZMX-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc1sc3c(c1c2)cccc3
NSC Number:
32084
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.331g/mol
Monoisotopic Mass:
252.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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