6-Hydroxydibenzo(b,e)thiepin-11(6H)-one acetate

(11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate

CAS: 31689-73-3

Molecular Formula	`C16H12O3S`
Molecular Weight	284.3 g/mol
LogP	3.5
Topological Polar Surface Area	68.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	284.05072
Heavy Atoms	20
Complexity	395.0

Chemical Identifiers

CAS Number	31689-73-3
SMILES	`CC(=O)OC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1`
InChIKey	`OCBVOCHRPOKVBT-UHFFFAOYSA-N`

📖 Product Overview

6-Hydroxydibenzo(b,e)thiepin-11(6H)-one acetate (CAS: 31689-73-3) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.3 g/mol. Its IUPAC systematic name is (11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate. LogP 3.5 Topological Polar Surface Area 68.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 284.05072 Heavy Atoms 20 Complexity 395.0 InChI Key: OCBVOCHRPOKVBT-UHFFFAOYSA-N. SMILES: CC(=O)OC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1.

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