4,5-dimethylfuran-2-carboxylic acid - CAS 89639-83-8

Catalog:	BB039548
Product Name:	4,5-dimethylfuran-2-carboxylic acid
CAS:	89639-83-8
Synonyms:	4,5-dimethyl-2-furancarboxylic acid; 4,5-dimethylfuran-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5-dimethylfuran-2-carboxylic acid
Description:	4,5-dimethylfuran-2-carboxylic acid (CAS# 89639-83-8) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C7H8O3
Canonical SMILES:	CC1=C(OC(=C1)C(=O)O)C
InChI:	InChI=1S/C7H8O3/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3,(H,8,9)
InChI Key:	BNVXYXRSJIWWDX-UHFFFAOYSA-N
Boiling Point:	254.6 °C at 760 mmHg
Density:	1.194 g/cm³
Appearance:	Solid
MDL:	MFCD00085031
LogP:	1.59460

Publication Number	Title	Priority Date
CN-111808054-A	Preparation method of ionic liquid and application of ionic liquid in cyclohexanone synthesis	20200817
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
AU-2018360857-A1	Modulators of the integrated stress pathway	20171102
TW-201927756-A	Integrating stress pathway regulator	20171102

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[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

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.047344113
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6