Methyl 2-furoate

Compound Structure:

Synonyms:

Methyl furan-2-carboxylate; Methyl 2-furoate; Methyl furan-2-carboxylate; Methyl 2-furancarboxylate; Methyl pyromucate; METHYL FUROATE; 2-Furancarboxylic acid, methyl ester; METHYL-2-FUROATE; 2-(Methoxycarbonyl)furan

Compound ID:

NMPC-1243

PubChem ID:

11902

Molecular Formula:

C6H6O3

Canonical SMILES:

COC(=O)C1=CC=CO1

InChIKey:

HDJLSECJEQSPKW-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	126.11 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.031694049 g/mol
Monoisotopic Mass	126.031694049 g/mol
Topological Polar Surface Area	39.4Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colourless to pale yellow liquid, berry, fruity, winey, heavy odour
Boiling Point	181.00 to 182.00 °C. @ 760.00 mm Hg
Density	1.176-1.181
Solubility	insoluble to slightly soluble in water; soluble in oils

Source: PubChem

Source Species:

Tamarindus indica

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