Molecule
Maleic Anhydride
CAS: 108-31-6 · C4H2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-31-6
- Molecular Formula
- C4H2O3
- Molecular Mass
- 98.06 g/mol
Identifiers
CAS Registry Number
108-31-6
SMILES
O=C1C=CC(=O)O1
InChI Key
FPYJFEHAWHCUMM-UHFFFAOYSA-N
InChI
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
Names and Synonyms
- Maleic Anhydride Common Name
- BM 10 Synonym
- Nourymix MA 901 Synonym
- Crystal Man Synonym
- Crystal Man AB Synonym
- NSC 137651 Synonym
- Dihydro-2,5-dioxofuran Synonym
- 2,5-Furandione Synonym
- Maleic anhydride Synonym
- cis-Butenedioic anhydride Synonym
- Maleic acid anhydride Synonym
- Toxilic anhydride Synonym
- NSC 137652 Synonym
- NSC 137653 Synonym
- NSC 9568 Synonym
- HG 3-993-76 Synonym
- M 188 Synonym
- 2,5-Dihydrofuran-2,5-dione Synonym
- SY-A Synonym
- WS 8201 Synonym
- GR 216 Synonym
- A 1018 Synonym
- Baolilong A 1018 Synonym
- HA 59 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.06 g/mol | CAS Common Chemistry |
| 98.057 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.48 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Maleic_anhydride | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=FPYJFEHAWHCUMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.8 °C | CAS Common Chemistry |
| Name | Maleic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -0.3740000000000001 | RDKit |
| -0.374 | RDKit | |
| Molar Refractivity | 20.238999999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 98.00039392400001 g/mol | RDKit |
| Boiling Point | 202.0 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 98.06 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
