1,4-Dioxepan-5-one


Chemical Name: 1,4-Dioxepan-5-one
CAS Number: 35438-57-4
Product Number: AG003DQL(AGN-PC-0JNMAV)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.11522

Identification/Properties


Properties
MP:
36 °C
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
89.7
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

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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