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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 Mass:
114.10 g/mol
Names and Synonyms:
Glutaric Anhydride
2H-Pyran-2,6(3H)-dione, dihydro-
Glutaric anhydride
Dihydro-2H-pyran-2,6(3H)-dione
Pentanedioic anhydride
Glutaric acid anhydride
Pentanedioic acid anhydride
Pyroglutaric acid
NSC 16640
Dihydropyran-2,6-dione
Dihydro-3H-pyran-2,6-dione
Oxacyclohexane-2,6-dione
Pentahydropyran-2,6-dione
2,6-Dioxo-dihydropyrane
Identifiers:
SMILES:
O=C1CCCC(=O)O1
InChI:
InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
Key Properties
Boiling Point
287 °C
CAS Common Chemistry
Melting Point
56.3 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.10 g/mol | CAS Common Chemistry |
| 114.1 g/mol | RDKit | |
| 114.031694052 g/mol | RDKit | |
| Boiling Point | 287 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VANNPISTIUFMLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56.3 °C | CAS Common Chemistry |
| Name | Glutaric anhydride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 0.24009999999999998 | RDKit |
| Molar Refractivity | 24.949999999999992 | RDKit |
