1,3-Dioxane-4-acetic acid, 6-(chloromethyl)-2,2-dimethyl-,1,1-dimethylethyl ester, (4R,6S)-


Chemical Name: 1,3-Dioxane-4-acetic acid, 6-(chloromethyl)-2,2-dimethyl-,1,1-dimethylethyl ester, (4R,6S)-
CAS Number: 154026-94-5
Product Number: AG0038XD(AGN-PC-0Q6NOJ)
Synonyms:
MDL No:
Molecular Formula: C13H23ClO4
Molecular Weight: 278.7723

Identification/Properties


Computed Properties
Molecular Weight:
278.773g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
278.128g/mol
Monoisotopic Mass:
278.128g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
296
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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