5-Methyltetrahydropyran-2-one - CAS 3123-98-6

Catalog:	BB020841
Product Name:	5-Methyltetrahydropyran-2-one
CAS:	3123-98-6
Synonyms:	5-methyl-2-oxanone; 5-methyloxan-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-methyloxan-2-one
Description:	5-Methyltetrahydropyran-2-one (CAS# 3123-98-6 ) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC1CCC(=O)OC1
InChI:	InChI=1S/C6H10O2/c1-5-2-3-6(7)8-4-5/h5H,2-4H2,1H3
InChI Key:	GQUBDAOKWZLWDI-UHFFFAOYSA-N
LogP:	0.95950

Publication Number	Title	Priority Date
US-2021024447-A1	Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and their use for the prevention or treatment of disease	20190726
WO-2021021563-A1	Functionalized long-chain hydrocarbon mono- and di-carboxylic acids useful for the prevention or treatment of disease	20190726
US-2020409262-A1	Resist composition and method of forming resist pattern	20190625
US-2020239773-A1	Additive and application thereof	20190125
US-2020239780-A1	Additive and application thereof	20190125

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Complexity:	98.7
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
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1