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Glutaric Anhydride
CAS: 108-55-4 | C5H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-55-4
Molecular Formula:
C5H6O3
Molecular Weight:
114.1 g/mol
Names and Synonyms:
Glutaric Anhydride
2,6-Dioxo-dihydropyrane
Pentahydropyran-2,6-dione
Oxacyclohexane-2,6-dione
Dihydro-3H-pyran-2,6-dione
Dihydropyran-2,6-dione
NSC 16640
Pyroglutaric acid
Pentanedioic acid anhydride
Glutaric acid anhydride
Pentanedioic anhydride
Dihydro-2H-pyran-2,6(3H)-dione
Glutaric anhydride
2H-Pyran-2,6(3H)-dione, dihydro-
Identifiers:
SMILES:
O=C1CCCC(=O)O1
InChI:
InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.1 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.031694052 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.24009999999999998 | RDKit |
| molecular_mass | 114.10 g/mol | Legacy Database |
| cas-boiling-point | 287 °C None | Legacy Database |
| cas-canonical-smile | O=C1OC(=O)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VANNPISTIUFMLH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 56.3 °C None | Legacy Database |
| cas-name | Glutaric anhydride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.949999999999992 | RDKit |
