CAS 1193-79-9 | Ethanone, 1-(5-methyl-2-furanyl)- | CAS Number 1193-79-9

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1193-79-9 | Ethanone, 1-(5-methyl-2-furanyl)-

CAS No: 1193-79-9 Catalog No: AG000IJS MDL No:MFCD00003243

Product Description

Catalog Number:

AG000IJS

Chemical Name:

Ethanone, 1-(5-methyl-2-furanyl)-

CAS Number:

1193-79-9

Molecular Formula:

C7H8O2

Molecular Weight:

124.1372

MDL Number:

MFCD00003243

IUPAC Name:

1-(5-methylfuran-2-yl)ethanone

InChI:

InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChI Key:

KEFJLCGVTHRGAH-UHFFFAOYSA-N

SMILES:

Cc1ccc(o1)C(=O)C

EC Number:

214-779-1

UNII:

IY49408H2O

NSC Number:

80404

FEMA Number:

3609

Properties

Complexity:

120

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

124.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

124.139g/mol

Monoisotopic Mass:

124.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Thermal decomposition of 5-(hydroxymethyl)-2-furaldehyde (HMF) and its further transformations in the presence of glycine.	Journal of agricultural and food chemistry 20110928
Use of phosphonyl carbanions in the synthesis of anti-inflammatory active phosphorus-containing fused heterocycles and relevance phosphonates.	European journal of medicinal chemistry 20101101
Investigation of trypanothione reductase as a drug target in Trypanosoma brucei.	ChemMedChem 20091207
Monitoring cytotoxic potentials of furfuryl alcohol and 2-furyl methyl ketone in mice.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080101
Antitubercular constituents from the stem wood of Cinnamomum kotoense.	Journal of natural products 20050901
Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo.	The Journal of biological chemistry 19890305