3,4-Dihydro-2H-benzo[b]oxepin-5-one - CAS 6786-30-7

Catalog:	BB033423
Product Name:	3,4-Dihydro-2H-benzo[b]oxepin-5-one
CAS:	6786-30-7
Synonyms:	3,4-dihydro-2H-1-benzoxepin-5-one; 3,4-dihydro-2H-1-benzoxepin-5-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4-dihydro-2H-1-benzoxepin-5-one
Description:	3,4-Dihydro-2H-benzo[b]oxepin-5-one (CAS# 6786-30-7) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	C1CC(=O)C2=CC=CC=C2OC1
InChI:	InChI=1S/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
InChI Key:	KNTMEDNZPJADJU-UHFFFAOYSA-N
Boiling Point:	286.6 °C at 760 mmHg
Density:	1.145 g/cm³
LogP:	2.04190

Publication Number	Title	Priority Date
CN-111518117-A	1, 2-oxazinopyran compound and preparation method and application thereof	20200610
WO-2020112716-A1	Inhibitors of influenza virus replication	20181126
EP-3887355-A1	Inhibitors of influenza virus replication	20181126
BR-112019009291-A2	substituted n- (3-fluoropropyl) pyrrolidine compounds, processes for their preparation and therapeutic uses thereof	20161117
JP-2020502060-A	Novel substituted N- (3-fluoropropyl) -pyrrolidine compounds, methods for preparing them, and therapeutic uses thereof	20161117

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7