7-Methyl-1,4-dioxaspiro[4.5]decan-8-one - CAS 702-69-2

Catalog:	BB034119
Product Name:	7-Methyl-1,4-dioxaspiro[4.5]decan-8-one
CAS:	702-69-2
Synonyms:	7-methyl-1,4-dioxaspiro[4.5]decan-8-one; 7-methyl-1,4-dioxaspiro[4.5]decan-8-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-methyl-1,4-dioxaspiro[4.5]decan-8-one
Description:	7-Methyl-1,4-dioxaspiro[4.5]decan-8-one (CAS# 702-69-2) is a useful research chemical compound.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	CC1CC2(CCC1=O)OCCO2
InChI:	InChI=1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3
InChI Key:	AFCOTJOAYFEMMV-UHFFFAOYSA-N
Boiling Point:	272.7 °C at 760 mmHg
Density:	1.12 g/cm³
LogP:	1.11860

Publication Number	Title	Priority Date
US-2020299230-A1	Tetrahydronaphthalene derivatives useful as nrf2 activators	20171121
AU-2018360059-A1	Substituted pyrrolopyrimidine JAK inhibitors and methods of making and using the same	20171103
US-2019135808-A1	Substituted pyrrolopyridine jak inhibitors and methods of making and using the same	20171103
WO-2019090158-A9	Substituted pyrrolopyrimidine jak inhibitors and methods of making and using the same	20171103
CN-111566095-A	Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same	20171103

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (50%): 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:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4