2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester
Product Information
Molecular Formula
C8H10O4
Molecular Weight
170.16
Description
2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester, an imperative bioactive moiety, finds remarkable application in combating diverse ailments such as neoplastic conditions and inflammatory disorders. This compound possesses potent antitumor and anti-inflammatory properties, leading to broad applications in biomedical research and pharmacological advances.
Synonyms
β-Hydroxy-γ-butyrolactone Methacrylate (stabilized with MEHQ)||||Methacrylic Acid 5-Oxotetrahydrofuran-3-yl Ester (stabilized with MEHQ)
IUPAC Name
(5-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILES
CC(=C)C(=O)OC1CC(=O)OC1
InChI
InChI=1S/C8H10O4/c1-5(2)8(10)12-6-3-7(9)11-4-6/h6H,1,3-4H2,2H3
InChI Key
ZROFAXCQYPKWCY-UHFFFAOYSA-N
Melting Point
21 °C
Flash Point
152 °C
Purity
>97.0%(GC)
Appearance
White to Almost white powder to lump
Storage
0-10°C
Computed Properties
XLogP3
0.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
170.05790880 g/mol
Monoisotopic Mass
170.05790880 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
231
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
