4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester - CAS 374063-90-8

Catalog:	BB047237
Product Name:	4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester
CAS:	374063-90-8
Synonyms:	methyl 4-(2-furyl)-2,4-dioxobutanoate; methyl 2,4-dioxo-4-(2-furyl)-4-ylbutanoate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-(furan-2-yl)-2,4-dioxobutanoate
Description:	4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester (CAS# 374063-90-8 ) is a useful research chemical.
Molecular Weight:	196.16
Molecular Formula:	C9H8O5
Canonical SMILES:	COC(=O)C(=O)CC(=O)C1=CC=CO1
InChI:	InChI=1S/C9H8O5/c1-13-9(12)7(11)5-6(10)8-3-2-4-14-8/h2-4H,5H2,1H3
InChI Key:	LVRDBRKWPFVTRN-UHFFFAOYSA-N
Boiling Point:	314.6 °C at 760 mmHg
Purity:	98 %
Density:	1.328 g/cm³
Appearance:	Yellow powder

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Furans

[364609-04-1]
5-[(2-Chlorophenoxy)methyl]furan-2-carboxylic acid
[438219-08-0]
5-[(4-Chlorophenoxy)methyl]furan-2-carbaldehyde
[364628-38-6]
5-[(4-Chlorophenoxy)methyl]furan-2-carbohydrazide
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[667920-77-6]
Ethyl 5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
[937598-55-5]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.03717335
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.03717335
Rotatable Bond Count:	5
Topological Polar Surface Area:	73.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9