Diglycolic anhydride
C₄H₄O₄·116.070 g/mol·CID 78232
IUPAC: 1,4-dioxane-2,6-dione
Also known as: 1,4-Dioxane-2,6-dione, Oxydiacetic anhydride, p-Dioxane-2,6-dione, Diglycolic acid anhydride, RKE2JJ6VPJ (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
116.070g/mol
Exact Mass
116.010959Da
Monoisotopic Mass
116.010959Da
XLogP
-0.4
Polar Surface Area
52.6Ų
Complexity
114
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 116.1 g/mol
MW ≤ 500
✓ -0.4
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₄O₄
(Z)-but-2-enedioic acid
CID 444266 · 116.1 g/mol
(E)-but-2-enedioic acid
CID 444972 · 116.1 g/mol
butanedioate
CID 160419 · 116.1 g/mol
1,4-dioxane-2,5-dione
CID 65432 · 116.1 g/mol
but-2-enedioic acid
CID 723 · 116.1 g/mol
(E)-but-2-enedioate;hydron
CID 21883788 · 116.1 g/mol
(Z)-but-2-enedioate;hydron
CID 173000668 · 116.1 g/mol
hydron;(E)-4-hydroxy-4-oxobut-2-enoate
CID 173073039 · 116.1 g/mol