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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 Weight:
98.057 g/mol
Names and Synonyms:
Maleic Anhydride
NSC 137652
NSC 137651
Crystal Man AB
Crystal Man
Nourymix MA 901
A 1018
GR 216
WS 8201
SY-A
2,5-Dihydrofuran-2,5-dione
M 188
HG 3-993-76
NSC 9568
NSC 137653
BM 10
Dihydro-2,5-dioxofuran
Toxilic anhydride
Maleic acid anhydride
cis-Butenedioic anhydride
Maleic anhydride
2,5-Furandione
HA 59
Baolilong A 1018
Identifiers:
SMILES:
O=C1C=CC(=O)O1
InChI:
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 98.06 g/mol | Legacy Database |
| density | 1.48 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Maleic_anhydride None | Legacy Database |
| cas-boiling-point | 202.0 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C1OC(=O)C=C1 None | Legacy Database |
| cas-density | 1.48 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=FPYJFEHAWHCUMM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 52.8 °C None | Legacy Database |
| cas-name | Maleic anhydride None | Legacy Database |
| wikipedia-name | Maleic anhydride None | Legacy Database |
| LogP | -0.3740000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.057 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 98.00039392400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.238999999999997 | RDKit |
