Glycidyl Caprate-d19
Product Information
Molecular Formula
C13H5D19O3
Molecular Weight
247.44
Description
Applications: Labelled analogue of Glycidyl Caprate,an epoxy monomer used as a crosslinking agents for alkyd coatings.
Synonyms
2,3-Epoxy-1-propanol Decanoate-d19||||Decanoic Acid 2,3-Epoxypropyl Ester-d19||||Decanoic Acid 2-Oxiranylmethyl Ester-d19||||Glycidyl Decanoate-d19
IUPAC Name
oxiran-2-ylmethyl decanoate
SMILES
CCCCCCCCCC(=O)OCC1CO1
InChI
InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-13(14)16-11-12-10-15-12/h12H,2-11H2,1H3
InChI Key
FZBIESPTFIVNEJ-UHFFFAOYSA-N
Boiling Point
302.4±15.0 °C(Predicted)
Density
0.976±0.06 g/cm3(Predicted)
Appearance
Clear Colourless Oil
Storage
Refrigerator
Computed Properties
XLogP3
3.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
11
Exact Mass
228.17254462 g/mol
Monoisotopic Mass
228.17254462 g/mol
Topological Polar Surface Area
38.8Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
192
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
