3-tert-Butyl-4-hydroxyfuran-2(5H)-one - CAS 114908-93-9

Catalog:	BB003448
Product Name:	3-tert-Butyl-4-hydroxyfuran-2(5H)-one
CAS:	114908-93-9
Synonyms:	4-tert-butyl-3-hydroxy-2H-furan-5-one; 4-tert-butyl-3-hydroxy-2H-furan-5-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-tert-butyl-3-hydroxy-2H-furan-5-one
Description:	3-tert-Butyl-4-hydroxyfuran-2(5H)-one (CAS# 114908-93-9) is a useful research chemical.
Molecular Weight:	156.18
Molecular Formula:	C8H12O3
Canonical SMILES:	CC(C)(C)C1=C(COC1=O)O
InChI:	InChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3
InChI Key:	FCQYJJRHGZWCNZ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.40140

Publication Number	Title	Priority Date
US-2016031814-A1	Modulation of k2p channels	20130314
US-9862684-B2	Modulation of K2P channels	20130314
CN-103239720-A	Substance for curing or relieving pain	20120214
CN-103239720-B	Treatment or lenitive material	20120214
EP-3025716-A1	Substance for treatment or relief of pain	20120214

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.078644241
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.078644241
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3