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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 Mass:
98.06 g/mol
Names and Synonyms:
Maleic Anhydride
2,5-Furandione
Maleic anhydride
cis-Butenedioic anhydride
Maleic acid anhydride
Toxilic anhydride
Dihydro-2,5-dioxofuran
BM 10
Nourymix MA 901
Crystal Man
Crystal Man AB
NSC 137651
NSC 137652
NSC 137653
NSC 9568
HG 3-993-76
M 188
2,5-Dihydrofuran-2,5-dione
SY-A
WS 8201
GR 216
A 1018
Baolilong A 1018
HA 59
Identifiers:
SMILES:
O=C1C=CC(=O)O1
InChI:
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
Key Properties
Boiling Point
202.0 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
52.8 °C
CAS Common Chemistry
Density
1.48 g/cm³
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 | 98.06 g/mol | CAS Common Chemistry |
| 98.057 g/mol | RDKit | |
| 98.00039392400001 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 |
| Boiling Point | 202.0 °C @ Press: 760 Torr | 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 |
| LogP | -0.3740000000000001 | RDKit |
| Molar Refractivity | 20.238999999999997 | RDKit |
