2-Propenoic acid,2-methyl-, tetrahydro-2-oxo-3-furanyl ester
Product Information
Molecular Formula
C8H10 O4
Description
2-Propenoic acid,2-methyl-, tetrahydro-2-oxo-3-furanyl ester is an organic compound widely used in the biomedical industry. This compound acts as an inhibitor of certain enzymes, ultimately inhibiting the growth and proliferation of specific cancer cells.
Synonyms
alpha-Methacryloxy-gama-butyrolactone
IUPAC Name
(2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILES
CC(=C)C(=O)OC1CCOC1=O
InChI
InChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h6H,1,3-4H2,2H3
InChI Key
QSUJHKWXLIQKEY-UHFFFAOYSA-N
Boiling Point
296.8°C at 760 mmHg
Flash Point
152 °C
Purity
95%
Density
1.17g/cm3
Appearance
Colorless to Light yellow clear liquid
Computed Properties
XLogP3
1.2
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
