4-Oxepanone - CAS 62643-19-0

Catalog:	BB031712
Product Name:	4-Oxepanone
CAS:	62643-19-0
Synonyms:	4-oxepanone; oxepan-4-one

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Computed Properties

IUPAC Name:	oxepan-4-one
Description:	4-Oxepanone (CAS# 62643-19-0) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	C1CC(=O)CCOC1
InChI:	InChI=1S/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H2
InChI Key:	CTLGXFASUHKSGN-UHFFFAOYSA-N
LogP:	0.75600

Publication Number	Title	Priority Date
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
WO-2020204733-A1	A solvent drying composition and processes therfor	20190403
WO-2020185096-A1	An alcohol recovery solution, and method of use therefor	20190308
AU-2018346086-A1	A salt recovery solution and processes of use thereof	20171003
CA-3075922-A1	A salt recovery solution and processes of use thereof	20171003

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1