C1C(=O)OC(=O)CO1
CAS: 4480-83-5
Name: 1,4-dioxane-2,6-dione
SMILES: C1C(=O)OC(=O)CO1

Molecular Processing

Molecular formula
C4H4O4
Molecular weight
116.07
Exact mass
116.011
XLogP
-0.91
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
21.92

Supplementary Information

InChIKey: PIYNUZCGMLCXKJ-UHFFFAOYSA-N
Synonyme
Diglycolic anhydride1,4-Dioxane-2,6-dioneOxydiacetic anhydridep-Dioxane-2,6-dioneDiglycolic acid anhydrideRKE2JJ6VPJEINECS 224-761-5Acetic acid, oxydi-, cyclic anhydrideAcetic acid, 2,2'-oxybis-, cyclic anhydrideDTXSID90196305RefChem:73333DTXCID60118796PIYNUZCGMLCXKJ-UHFFFAOYSA-N4480-83-5DiglycolicanhydrideMFCD00006677UNII-RKE2JJ6VPJ1,4-Dioxan-2,6-dioneSCHEMBL88159[1,4]Dioxane-2,6-dioneorb2940289ALBB-035717SBB060695TYD-00289AKOS001075962FD11051HY-W074326AS-57518BP-31064SY005494
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