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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[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
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Furans

[832740-87-1]
5-[(3-Chloro-2-methylphenoxy)methyl]furan-2-carbaldehyde
[438220-93-0]
5-[(Pentachlorophenoxy)methyl]-2-furaldehyde
[937599-96-7]
Ethyl {[4-(2-furyl)pyrimidin-2-YL]thio}acetate
[827594-60-5]
Ethyl 5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
[79551-14-7]
Ferene Disodium Salt
[1255717-94-2]
(5-(Furan-2-yl)isoxazol-3-yl)methanamine hydrochloride

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