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Molecule
Glutaric Anhydride
CAS: 108-55-4 · C5H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-55-4
- Molecular Formula
- C5H6O3
- Molecular Mass
- 114.10 g/mol
Identifiers
CAS Registry Number
108-55-4
SMILES
O=C1CCCC(=O)O1
InChI Key
VANNPISTIUFMLH-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
Names and Synonyms
- Glutaric Anhydride Common Name
- 2H-Pyran-2,6(3H)-dione, dihydro- Synonym
- Glutaric anhydride Synonym
- Dihydro-2H-pyran-2,6(3H)-dione Synonym
- Pentanedioic anhydride Synonym
- Glutaric acid anhydride Synonym
- Pentanedioic acid anhydride Synonym
- Pyroglutaric acid Synonym
- NSC 16640 Synonym
- Dihydropyran-2,6-dione Synonym
- Dihydro-3H-pyran-2,6-dione Synonym
- Oxacyclohexane-2,6-dione Synonym
- Pentahydropyran-2,6-dione Synonym
- 2,6-Dioxo-dihydropyrane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.10 g/mol | CAS Common Chemistry |
| 114.1 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 |
| 43.37 Ų | RDKit | |
| LogP | 0.24009999999999998 | RDKit |
| 0.2401 | RDKit | |
| Molar Refractivity | 24.949999999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 114.031694052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 114.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6O3.
