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Maleic Acid
CAS: 110-16-7 | C4H4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-16-7
Molecular Formula:
C4H4O4
Molecular Mass:
116.07 g/mol
Names and Synonyms:
Maleic Acid
2-Butenedioic acid (2Z)-
Maleic acid
2-Butenedioic acid (Z)-
(2Z)-2-Butenedioic acid
cis-Butenedioic acid
cis-1,2-Ethylenedicarboxylic acid
Maleinic acid
Toxilic acid
2-Butenedioic acid, (Z)-
cis-2-Butenedioic acid
Scotchbond Multipurpose Etchant
Malezid CM
(2Z)-Butene-2-dioic acid
(Z)-2-Butenedioic acid
Identifiers:
SMILES:
O=C(O)/C=CC(=O)O
InChI:
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
Key Properties
Boiling Point
110 °C
CAS Common Chemistry
Melting Point
131 °C
CAS Common Chemistry
Density
1.59 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 | 116.07 g/mol | CAS Common Chemistry |
| 116.07199999999999 g/mol | RDKit | |
| 116.01095860800001 g/mol | RDKit | |
| Density | 1.59 g/cm³ | CAS Common Chemistry |
| 1.590 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Maleic_acid | CAS Common Chemistry |
| Boiling Point | 110 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=VZCYOOQTPOCHFL-UPHRSURJSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Maleic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.28819999999999985 | RDKit |
| Molar Refractivity | 24.411599999999993 | RDKit |
