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Ethyl 3-Oxo-3-(4-tetrahydropyranyl)propanoate

Ethyl 3-Oxo-3-(4-tetrahydropyranyl)propanoate - CAS 856414-68-1

Catalog:	BB037669
Product Name:	Ethyl 3-Oxo-3-(4-tetrahydropyranyl)propanoate
CAS:	856414-68-1
Synonyms:	3-(4-oxanyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(oxan-4-yl)-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-(oxan-4-yl)-3-oxopropanoate
Description:	Ethyl 3-Oxo-3-(4-tetrahydropyranyl)propanoate (CAS# 856414-68-1) is a useful research chemical.
Molecular Weight:	200.23
Molecular Formula:	C10H16O4
Canonical SMILES:	CCOC(=O)CC(=O)C1CCOCC1
InChI:	InChI=1S/C10H16O4/c1-2-14-10(12)7-9(11)8-3-5-13-6-4-8/h8H,2-7H2,1H3
InChI Key:	HJFKRDIPKNVADD-UHFFFAOYSA-N
LogP:	0.93530

Publication Number	Title	Priority Date
US-2021017187-A1	Heterocyclic compounds, preparation methods therefor, and methods of uses thereof	20190625
WO-2020258006-A1	Heterocyclic compounds, preparation methods therefor, and methods of uses thereof	20190625
AU-2017359561-A1	Pyrimidinone derivatives as Cdc7 inhibitors	20161108
EP-3538523-A1	Pyrimidinone derivatives as cdc7 inhibitors	20161108
JP-2020506219-A	Pyrimidinone derivatives as cdc7 inhibitors	20161108

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.10485899
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.10485899
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6