Ethyl 3-Oxocyclobutanecarboxylate - CAS 87121-89-9

Name: Ethyl 3-Oxocyclobutanecarboxylate
Brand: BOC Sciences
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Catalog:	BB038274
Product Name:	Ethyl 3-Oxocyclobutanecarboxylate
CAS:	87121-89-9
Synonyms:	3-oxo-1-cyclobutanecarboxylic acid ethyl ester; ethyl 3-oxocyclobutane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-oxocyclobutane-1-carboxylate
Description:	Ethyl 3-Oxocyclobutanecarboxylate (CAS# 87121-89-9) is a useful research chemical.
Molecular Weight:	142.15
Molecular Formula:	C7H10O3
Canonical SMILES:	CCOC(=O)C1CC(=O)C1
InChI:	InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
InChI Key:	BXBRFSMPBOTZHJ-UHFFFAOYSA-N
Boiling Point:	206.9 °C at 760 mmHg
Density:	1.169 g/cm³
MDL:	MFCD09834114
LogP:	0.19590

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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

Publication Number	Title	Priority Date
US-2021317094-A1	Aminocyclobutanes as monoacylglycerol lipase modulators	20200326
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021191390-A1	Azaspirocycles as monoacylglycerol lipase modulators	20200326
WO-2021191391-A1	Aminocyclobutanes as monoacylglycerol lipase modulators	20200326
US-2021253565-A1	Monoacylglycerol lipase modulators	20200210

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.062994177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1