Ethyl 3-(2-Furyl)-3-oxopropanoate - CAS 615-09-8

Catalog:	BB031153
Product Name:	Ethyl 3-(2-Furyl)-3-oxopropanoate
CAS:	615-09-8
Synonyms:	3-(2-furanyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(furan-2-yl)-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-(furan-2-yl)-3-oxopropanoate
Description:	Ethyl 3-(2-Furyl)-3-oxopropanoate (CAS# 615-09-8) is a useful research chemical.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	CCOC(=O)CC(=O)C1=CC=CO1
InChI:	InChI=1S/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChI Key:	PKHYBBXBBXOGMZ-UHFFFAOYSA-N
Boiling Point:	254.2 °C at 760 mmHg
Density:	1.162 g/cm³
MDL:	MFCD00122473
LogP:	1.41550

Publication Number	Title	Priority Date
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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.05790880
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.05790880
Rotatable Bond Count:	5
Topological Polar Surface Area:	56.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4