2-Oxaspiro[3.3]heptan-6-one - CAS 1339892-66-8

Catalog:	BB007849
Product Name:	2-Oxaspiro[3.3]heptan-6-one
CAS:	1339892-66-8
Synonyms:	2-oxaspiro[3.3]heptan-6-one; 2-oxaspiro[3.3]heptan-6-one

Technical Data

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Computed Properties

IUPAC Name:	2-oxaspiro[3.3]heptan-6-one
Description:	2-Oxaspiro[3.3]heptan-6-one (CAS# 1339892-66-8) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	C1C(=O)CC12COC2
InChI:	InChI=1S/C6H8O2/c7-5-1-6(2-5)3-8-4-6/h1-4H2
InChI Key:	JWNCVDJOXJTJPB-UHFFFAOYSA-N
MDL:	MFCD22415239
LogP:	0.36590

Publication Number	Title	Priority Date
WO-2021210857-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20200413
KR-20210108274-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20200225
KR-20210108555-A	1,3,4-Oxadiazol Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20200225
WO-2021172886-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20200225
WO-2021172887-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20200225

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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, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6