Ethyl 3-Cyclohexyl-3-oxopropanoate - CAS 15971-92-3

Catalog:	BB011566
Product Name:	Ethyl 3-Cyclohexyl-3-oxopropanoate
CAS:	15971-92-3
Synonyms:	3-cyclohexyl-3-oxopropanoic acid ethyl ester; ethyl 3-cyclohexyl-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-cyclohexyl-3-oxopropanoate
Description:	Ethyl 3-Cyclohexyl-3-oxopropanoate (CAS# 15971-92-3) is a useful research chemical.
Molecular Weight:	198.26
Molecular Formula:	C11H18O3
Canonical SMILES:	CCOC(=O)CC(=O)C1CCCCC1
InChI:	InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChI Key:	ASYASKBLHYSMEG-UHFFFAOYSA-N
Boiling Point:	275.2 °C at 760 mmHg
Density:	1.039 g/cm³
MDL:	MFCD04115574
LogP:	2.08900

Publication Number	Title	Priority Date
WO-2021119081-A1	Hepatitis b capsid assembly modulators	20191210
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CN-110809574-A	Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection	20170627
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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.125594432
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.125594432
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4